 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=07_transpinane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/07_transpinane_STD/Gau-181429.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    181431.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=07_transpinane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   592 symmetry adapted cartesian basis functions of A   symmetry.
 There are   532 symmetry adapted basis functions of A   symmetry.
   532 basis functions,   778 primitive gaussians,   592 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0517708795 Hartrees.
 Nuclear repulsion after empirical dispersion term =      595.1190851388 Hartrees.
 Leave Link  301 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   532 RedAO= T EigKep=  1.05D-06  NBF=   532
 NBsUse=   531 1.00D-06 EigRej=  5.06D-07 NBFU=   531
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   591   591   591   591   591 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:08:00 2021, MaxMem=  5637144576 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636433568 LenY=  5636082512
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -392.075079737225    
 DIIS: error= 1.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -392.075079737225     IErMin= 1 ErrMin= 1.36D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-03 BMatP= 2.64D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 GapD=    0.297 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.02D-02 MaxDP=1.12D+00              OVMax= 6.02D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  1.10D+00
 E= -392.076125537335     Delta-E=       -0.001045800109 Rises=F Damp=F
 DIIS: error= 1.94D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -392.076125537335     IErMin= 2 ErrMin= 1.94D-05
 ErrMax= 1.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-07 BMatP= 2.64D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.778D-02 0.101D+01
 Coeff:     -0.778D-02 0.101D+01
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=4.17D-04 MaxDP=4.42D-02 DE=-1.05D-03 OVMax= 3.89D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.94D-04    CP:  1.10D+00  1.04D+00
 E= -392.076126885272     Delta-E=       -0.000001347937 Rises=F Damp=F
 DIIS: error= 1.11D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -392.076126885272     IErMin= 3 ErrMin= 1.11D-05
 ErrMax= 1.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-07 BMatP= 7.82D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-02 0.249D+00 0.753D+00
 Coeff:     -0.212D-02 0.249D+00 0.753D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=8.90D-04 DE=-1.35D-06 OVMax= 1.18D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.14D-06    CP:  1.10D+00  1.04D+00  1.04D+00
 E= -392.076126936214     Delta-E=       -0.000000050942 Rises=F Damp=F
 DIIS: error= 1.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -392.076126936214     IErMin= 3 ErrMin= 1.11D-05
 ErrMax= 1.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.75D-08 BMatP= 1.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.137D-03 0.470D-02 0.444D+00 0.552D+00
 Coeff:     -0.137D-03 0.470D-02 0.444D+00 0.552D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=3.71D-06 MaxDP=3.10D-04 DE=-5.09D-08 OVMax= 5.38D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.16D-06    CP:  1.10D+00  1.04D+00  1.05D+00  8.71D-01
 E= -392.076127023021     Delta-E=       -0.000000086808 Rises=F Damp=F
 DIIS: error= 2.32D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -392.076127023021     IErMin= 5 ErrMin= 2.32D-06
 ErrMax= 2.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-09 BMatP= 8.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-04-0.925D-02 0.180D+00 0.268D+00 0.562D+00
 Coeff:      0.302D-04-0.925D-02 0.180D+00 0.268D+00 0.562D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=5.30D-07 MaxDP=3.32D-05 DE=-8.68D-08 OVMax= 8.80D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.24D-07    CP:  1.10D+00  1.04D+00  1.05D+00  8.95D-01  9.67D-01
 E= -392.076127025655     Delta-E=       -0.000000002634 Rises=F Damp=F
 DIIS: error= 3.95D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -392.076127025655     IErMin= 6 ErrMin= 3.95D-07
 ErrMax= 3.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-10 BMatP= 3.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-04-0.513D-02 0.557D-01 0.931D-01 0.278D+00 0.579D+00
 Coeff:      0.265D-04-0.513D-02 0.557D-01 0.931D-01 0.278D+00 0.579D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=1.22D-07 MaxDP=6.50D-06 DE=-2.63D-09 OVMax= 2.04D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.14D-08    CP:  1.10D+00  1.04D+00  1.05D+00  8.99D-01  9.75D-01
                    CP:  1.01D+00
 E= -392.076127025894     Delta-E=       -0.000000000238 Rises=F Damp=F
 DIIS: error= 5.05D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -392.076127025894     IErMin= 7 ErrMin= 5.05D-08
 ErrMax= 5.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-12 BMatP= 2.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.578D-05-0.996D-03 0.763D-02 0.149D-01 0.519D-01 0.158D+00
 Coeff-Com:  0.769D+00
 Coeff:      0.578D-05-0.996D-03 0.763D-02 0.149D-01 0.519D-01 0.158D+00
 Coeff:      0.769D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=2.90D-08 MaxDP=2.59D-06 DE=-2.38D-10 OVMax= 3.71D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.10D+00  1.04D+00  1.05D+00  9.01D-01  9.80D-01
                    CP:  1.02D+00  9.84D-01
 E= -392.076127025847     Delta-E=        0.000000000047 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -392.076127025894     IErMin= 8 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-13 BMatP= 2.53D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.736D-06-0.100D-03-0.339D-04 0.746D-03 0.513D-02 0.286D-01
 Coeff-Com:  0.295D+00 0.671D+00
 Coeff:      0.736D-06-0.100D-03-0.339D-04 0.746D-03 0.513D-02 0.286D-01
 Coeff:      0.295D+00 0.671D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=5.41D-09 MaxDP=2.35D-07 DE= 4.70D-11 OVMax= 1.13D-07

 SCF Done:  E(RB3LYP) =  -392.076127026     A.U. after    8 cycles
            NFock=  8  Conv=0.54D-08     -V/T= 2.0057
 KE= 3.898414458674D+02 PE=-2.097656576742D+03 EE= 7.206199187104D+02
 Leave Link  502 at Thu Jul 22 18:12:50 2021, MaxMem=  5637144576 cpu:            2317.6 elap:             290.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   531
 NBasis=   532 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    531 NOA=    39 NOB=    39 NVA=   492 NVB=   492

 **** Warning!!: The largest alpha MO coefficient is  0.17909806D+03

 Leave Link  801 at Thu Jul 22 18:12:51 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8485 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.20D-13 8.33D-09 XBig12= 1.00D+00 1.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.20D-13 8.33D-09 XBig12= 1.69D-01 5.45D-02.
     11 vectors produced by pass  2 Test12= 3.20D-13 8.33D-09 XBig12= 3.55D-02 2.02D-02.
     11 vectors produced by pass  3 Test12= 3.20D-13 8.33D-09 XBig12= 3.03D-03 7.47D-03.
     11 vectors produced by pass  4 Test12= 3.20D-13 8.33D-09 XBig12= 2.49D-04 2.24D-03.
     11 vectors produced by pass  5 Test12= 3.20D-13 8.33D-09 XBig12= 8.58D-06 4.41D-04.
     11 vectors produced by pass  6 Test12= 3.20D-13 8.33D-09 XBig12= 1.35D-07 4.48D-05.
     11 vectors produced by pass  7 Test12= 3.20D-13 8.33D-09 XBig12= 2.69D-09 6.77D-06.
     11 vectors produced by pass  8 Test12= 3.20D-13 8.33D-09 XBig12= 4.23D-11 7.23D-07.
      8 vectors produced by pass  9 Test12= 3.20D-13 8.33D-09 XBig12= 4.05D-13 7.99D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.129597D+03
      2  0.420021D-01  0.115432D+03
      3  0.632008D+00 -0.869546D-01  0.110934D+03
 Isotropic polarizability for W=    0.093368      118.65 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.432167D+01 -0.222516D+02  0.117274D+02
      2  -0.688762D+01  0.102218D+02 -0.383377D+01
      3   0.112093D+02  0.120298D+02 -0.789360D+01
      4  -0.309763D+02 -0.100080D+02  0.291783D+01
      5   0.186081D+02  0.195901D+01  0.179850D+02
      6   0.728929D+00  0.426277D+01 -0.410367D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.270925D+01  0.879808D+00  0.290765D+01
      2   0.341443D+01 -0.101030D+01  0.718928D+01
      3   0.415122D+01  0.266920D+01 -0.169524D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.958815D+00  0.809654D+01  0.161335D+02
      2  -0.688071D+01  0.218890D+01  0.677570D+01
      3  -0.872471D+01  0.312042D+01 -0.123008D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.159247D+01 -0.921580D+00 -0.838623D+00
      2  -0.921580D+00  0.105423D+01 -0.122760D+01
      3  -0.838623D+00 -0.122760D+01  0.541951D+00
 OR G Eigenvalues:    -2.3865     0.3268     2.0635  Iso=    -0.0012
 Eigenvectors:
   (1)   0.842444   0.366533   0.394896
   (2)  -0.535341   0.486712   0.690306
   (3)  -0.060819   0.792947  -0.606247
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0012 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =       -0.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  141778 ScalPx= 6.90D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  141778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.56D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.33D-14 2.78D-09 XBig12= 1.00D+00 3.78D-01.
     30 vectors produced by pass  1 Test12= 5.33D-14 2.78D-09 XBig12= 3.95D-02 1.90D-02.
     30 vectors produced by pass  2 Test12= 5.33D-14 2.78D-09 XBig12= 1.32D-03 3.75D-03.
     30 vectors produced by pass  3 Test12= 5.33D-14 2.78D-09 XBig12= 3.29D-05 4.45D-04.
     30 vectors produced by pass  4 Test12= 5.33D-14 2.78D-09 XBig12= 2.19D-07 4.41D-05.
     30 vectors produced by pass  5 Test12= 5.33D-14 2.78D-09 XBig12= 1.15D-09 3.09D-06.
     30 vectors produced by pass  6 Test12= 5.33D-14 2.78D-09 XBig12= 3.64D-12 1.69D-07.
     11 vectors produced by pass  7 Test12= 5.33D-14 2.78D-09 XBig12= 1.03D-14 7.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  141778 ScalPx= 3.95D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  141778 ScalPx= 3.95D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  141778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129597D+03  0.420021D-01  0.632008D+00
      2   0.420021D-01  0.115432D+03 -0.869546D-01
      3   0.632008D+00 -0.869546D-01  0.110934D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.270925D+01  0.879808D+00  0.290765D+01
      2   0.341443D+01 -0.101030D+01  0.718928D+01
      3   0.415122D+01  0.266920D+01 -0.169524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.432167D+01 -0.222516D+02  0.117274D+02
      2  -0.688762D+01  0.102218D+02 -0.383377D+01
      3   0.112093D+02  0.120298D+02 -0.789360D+01
      4  -0.309763D+02 -0.100080D+02  0.291783D+01
      5   0.186081D+02  0.195901D+01  0.179850D+02
      6   0.728929D+00  0.426277D+01 -0.410367D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.106011D+01 -0.305508D+01  0.105679D+01 -0.352915D+01  0.216699D+00
      2  -0.305508D+01 -0.720052D+00  0.129954D+01  0.216699D+00  0.327244D+01
      3   0.105679D+01  0.129954D+01  0.286550D+01  0.182775D+01 -0.138744D+01
                 6             7             8             9            10 
      1   0.182775D+01  0.523618D+00  0.226257D+01  0.447999D+01 -0.571113D-01
      2  -0.138744D+01  0.226257D+01 -0.224686D+01 -0.231839D+01  0.394842D+01
      3  -0.160988D+01  0.447999D+01 -0.231839D+01 -0.472735D+00  0.158999D+01
                11            12            13            14            15 
      1   0.394842D+01  0.158999D+01  0.508898D+01  0.780910D+00  0.178136D+00
      2   0.167503D+01 -0.275637D+00  0.780910D+00 -0.544980D+01  0.569515D+00
      3  -0.275637D+00 -0.208181D+01  0.178136D+00  0.569515D+00  0.118393D+01
                16            17            18            19            20 
      1   0.285179D+01 -0.492409D-01 -0.245901D+01  0.100574D+01  0.172595D+01
      2  -0.492409D-01  0.178372D+01  0.130575D+01  0.172595D+01  0.728937D+00
      3  -0.245901D+01  0.130575D+01 -0.641738D+01 -0.760947D+00 -0.336948D+01
                21            22            23            24            25 
      1  -0.760947D+00  0.246006D+01  0.601121D+00 -0.333868D+01 -0.531990D+00
      2  -0.336948D+01  0.601121D+00 -0.423289D+01  0.155793D+01 -0.408208D+01
      3  -0.742476D+00 -0.333868D+01  0.155793D+01 -0.245824D+01 -0.776319D+00
                26            27            28            29            30 
      1  -0.408208D+01 -0.776319D+00 -0.310088D+01 -0.264286D+01  0.907141D+00
      2   0.219495D+01 -0.430317D+01 -0.264286D+01 -0.233717D+01  0.491250D+01
      3  -0.430317D+01 -0.421363D+00  0.907141D+00  0.491250D+01 -0.144650D+01
                31            32            33            34            35 
      1  -0.273729D+01 -0.197959D+01  0.516285D+01  0.770447D+00  0.574969D+01
      2  -0.197959D+01  0.168152D+01  0.693810D+00  0.574969D+01 -0.113524D+01
      3   0.516285D+01  0.693810D+00  0.323816D+01 -0.194114D+01  0.231787D+01
                36            37            38            39            40 
      1  -0.194114D+01  0.545807D+01  0.552628D+01  0.344095D+01  0.653905D+01
      2   0.231787D+01  0.552628D+01  0.192320D+01 -0.191215D+01  0.275165D+01
      3  -0.945686D+00  0.344095D+01 -0.191215D+01  0.823107D+00 -0.270890D+01
                41            42            43            44            45 
      1   0.275165D+01 -0.270890D+01  0.518615D+01 -0.220723D+01  0.453757D-01
      2  -0.349578D+01  0.320956D+01 -0.220723D+01  0.513627D+01 -0.302827D+01
      3   0.320956D+01 -0.276152D+01  0.453757D-01 -0.302827D+01 -0.249306D+01
                46            47            48            49            50 
      1  -0.466140D+01 -0.366036D+01 -0.293635D+01 -0.462062D+01 -0.166014D+00
      2  -0.366036D+01 -0.527332D+00 -0.119183D+00 -0.166014D+00  0.923449D+01
      3  -0.293635D+01 -0.119183D+00 -0.168494D+01 -0.193875D+00 -0.942751D+00
                51            52            53            54            55 
      1  -0.193875D+00 -0.643361D+01 -0.628306D+00 -0.508261D-01  0.184543D+01
      2  -0.942751D+00 -0.628306D+00 -0.833753D+00 -0.191142D+01 -0.296356D+00
      3  -0.308674D+01 -0.508261D-01 -0.191142D+01  0.397890D+01  0.385977D+01
                56            57            58            59            60 
      1  -0.296356D+00  0.385977D+01 -0.572947D+00 -0.193559D+01 -0.349447D+01
      2  -0.194178D+01 -0.362864D+01 -0.193559D+01 -0.155283D+01 -0.168285D+01
      3  -0.362864D+01  0.896565D+00 -0.349447D+01 -0.168285D+01  0.259510D+01
                61            62            63            64            65 
      1   0.284340D+01 -0.268079D+01  0.769840D+00 -0.300237D+01  0.182598D+01
      2  -0.268079D+01 -0.160920D+01  0.219064D+01  0.182598D+01 -0.132523D+01
      3   0.769840D+00  0.219064D+01 -0.299252D+00  0.181037D+01 -0.110232D+01
                66            67            68            69            70 
      1   0.181037D+01  0.182121D+01 -0.174882D+01 -0.128047D+01  0.316739D+01
      2  -0.110232D+01 -0.174882D+01  0.232000D+01  0.196224D+01 -0.190984D+01
      3  -0.184497D+01 -0.128047D+01  0.196224D+01  0.171014D+01 -0.321355D+01
                71            72            73            74            75 
      1  -0.190984D+01 -0.321355D+01  0.214116D+01 -0.409001D+01 -0.301842D+01
      2   0.275065D+01  0.252273D+01 -0.409001D+01 -0.205572D+01  0.646050D+00
      3   0.252273D+01  0.428733D+01 -0.301842D+01  0.646050D+00  0.239173D+01
                76            77            78            79            80 
      1  -0.596226D+01 -0.354873D+00  0.530469D+00 -0.399155D+01  0.215762D+00
      2  -0.354873D+00  0.685188D+01 -0.210920D+01  0.215762D+00 -0.241257D+01
      3   0.530469D+00 -0.210920D+01 -0.634743D+00  0.328490D+01  0.388838D-01
                81            82            83            84            85 
      1   0.328490D+01  0.641946D+00 -0.565125D+00  0.985695D+00 -0.854956D+00
      2   0.388838D-01 -0.565125D+00 -0.128310D+00 -0.620068D-02 -0.213689D+00
      3   0.492877D+01  0.985695D+00 -0.620068D-02  0.613448D+00  0.907086D-01
                86            87            88            89            90 
      1  -0.213689D+00  0.907086D-01  0.211291D+01  0.316690D+00  0.418702D+00
      2  -0.333073D+00  0.112088D+01  0.316690D+00  0.115520D+01 -0.127194D+01
      3   0.112088D+01 -0.116374D+01  0.418702D+00 -0.127194D+01  0.801924D+01
                91            92            93            94            95 
      1   0.605730D+01  0.325982D+01 -0.263896D+01  0.254686D+01  0.234145D+01
      2   0.325982D+01  0.307417D+01 -0.207402D+01  0.234145D+01  0.354342D+01
      3  -0.263896D+01 -0.207402D+01  0.231684D+01 -0.174781D+01 -0.169119D+01
                96            97            98            99           100 
      1  -0.174781D+01 -0.200816D+01 -0.173651D+01  0.233140D+01 -0.198509D+01
      2  -0.169119D+01 -0.173651D+01 -0.146445D+01  0.168962D+01 -0.493555D+01
      3   0.125668D+01  0.233140D+01  0.168962D+01 -0.255060D+01 -0.355972D+01
               101           102           103           104           105 
      1  -0.493555D+01 -0.355972D+01 -0.532559D+01 -0.192354D+01  0.133719D+01
      2  -0.117062D+01  0.988917D+00 -0.192354D+01  0.118557D+01 -0.431983D+01
      3   0.988917D+00  0.511262D+00  0.133719D+01 -0.431983D+01  0.313674D+01
               106           107           108           109           110 
      1  -0.287829D+01  0.147028D+01  0.561898D+00 -0.271816D+01 -0.478623D+01
      2   0.147028D+01 -0.334032D+01  0.275301D+01 -0.478623D+01 -0.863039D+00
      3   0.561898D+00  0.275301D+01  0.158475D+01 -0.224183D+01  0.142281D+01
               111           112           113           114           115 
      1  -0.224183D+01 -0.607892D+01 -0.278457D+01  0.180612D+01 -0.263125D+01
      2   0.142281D+01 -0.278457D+01  0.362415D+01 -0.272587D+01  0.158299D+01
      3   0.459481D+00  0.180612D+01 -0.272587D+01  0.276278D+01 -0.620611D+00
               116           117           118           119           120 
      1   0.158299D+01 -0.620611D+00  0.157220D+00 -0.104293D+01  0.493353D+00
      2  -0.336954D+01  0.348460D+01 -0.104293D+01  0.624091D+00 -0.149757D+00
      3   0.348460D+01  0.444103D+01  0.493353D+00 -0.149757D+00  0.156254D+00
               121           122           123           124           125 
      1  -0.157333D+01 -0.344429D+00  0.141611D+00  0.851599D+00  0.104853D+00
      2  -0.344429D+00 -0.111542D+02  0.121746D+00  0.104853D+00  0.345967D+00
      3   0.141611D+00  0.121746D+00 -0.793750D+00 -0.108296D+00 -0.116846D+01
               126           127           128           129           130 
      1  -0.108296D+00  0.218181D+01 -0.106595D+01 -0.205688D+01 -0.118335D+01
      2  -0.116846D+01 -0.106595D+01  0.131091D+01  0.131450D+01  0.108202D+01
      3  -0.573581D-01 -0.205688D+01  0.131450D+01  0.288373D+01  0.121813D+01
               131           132           133           134           135 
      1   0.108202D+01  0.121813D+01 -0.169513D+01  0.962360D+00  0.213920D+01
      2  -0.173810D+01 -0.176549D+01  0.962360D+00 -0.153936D+01 -0.233459D+01
      3  -0.176549D+01 -0.289665D+01  0.213920D+01 -0.233459D+01 -0.598559D+01
               136           137           138           139           140 
      1  -0.494959D+01  0.404981D+00 -0.330191D+01  0.947671D+00 -0.737092D+00
      2   0.404981D+00 -0.781792D+00  0.663259D+00 -0.737092D+00  0.680927D+00
      3  -0.330191D+01  0.663259D+00 -0.389671D+01  0.107454D+01 -0.768019D+00
               141           142           143           144           145 
      1   0.107454D+01 -0.218695D+01  0.481179D+00 -0.244609D+01 -0.361616D+01
      2  -0.768019D+00  0.481179D+00 -0.413637D+00  0.151707D+00  0.178883D+01
      3   0.984151D+00 -0.244609D+01  0.151707D+00 -0.409681D+01  0.125068D+01
               146           147           148           149           150 
      1   0.178883D+01  0.125068D+01  0.203728D+01 -0.105681D+01 -0.700657D+00
      2  -0.140051D+01 -0.100363D+01 -0.105681D+01  0.168335D+01  0.147514D+01
      3  -0.100363D+01 -0.256248D+01 -0.700657D+00  0.147514D+01  0.147034D+01
               151           152           153           154           155 
      1   0.133195D+01 -0.743675D+00 -0.135636D+01  0.659661D+01  0.307145D+01
      2  -0.743675D+00  0.124312D+01  0.946252D+00  0.307145D+01  0.228974D+01
      3  -0.135636D+01  0.946252D+00  0.224246D+01  0.281062D+01  0.111796D+01
               156           157           158           159           160 
      1   0.281062D+01  0.366115D+01  0.255275D+01  0.133333D+01  0.830149D+00
      2   0.111796D+01  0.255275D+01  0.250626D+01  0.168049D+01  0.324616D+00
      3   0.236859D+01  0.133333D+01  0.168049D+01  0.123311D+01  0.118479D+01
               161           162           163           164           165 
      1   0.324616D+00  0.118479D+01  0.105450D+01 -0.386291D+00  0.139068D+01
      2   0.603729D+00  0.548909D+00 -0.386291D+00  0.626361D+00 -0.464103D+00
      3   0.548909D+00  0.914773D+00  0.139068D+01 -0.464103D+00  0.833279D+00
               166           167           168           169           170 
      1  -0.114369D+01  0.134882D+01 -0.144986D+01  0.113079D+01 -0.734181D+00
      2   0.134882D+01 -0.407339D+01  0.340020D+01 -0.734181D+00  0.213258D+01
      3  -0.144986D+01  0.340020D+01 -0.473565D+01  0.117954D+01 -0.263717D+01
               171           172           173           174           175 
      1   0.117954D+01  0.183406D+00  0.214756D+00 -0.832538D+00  0.325447D-01
      2  -0.263717D+01  0.214756D+00  0.370928D-01  0.982620D-01  0.755414D+00
      3   0.466279D+01 -0.832538D+00  0.982620D-01  0.300366D+00  0.294954D+00
               176           177           178           179           180 
      1   0.755414D+00  0.294954D+00 -0.216799D+01  0.834640D+00  0.135796D+01
      2  -0.160531D+01 -0.115440D+01  0.834640D+00 -0.153473D+01 -0.227586D+01
      3  -0.115440D+01 -0.187229D+01  0.135796D+01 -0.227586D+01 -0.649850D+01
               181           182           183           184           185 
      1   0.166081D+01 -0.923693D+00  0.766195D+00 -0.216639D+01  0.318368D+01
      2  -0.923693D+00  0.879059D+00 -0.496911D+00  0.318368D+01 -0.669498D+01
      3   0.766195D+00 -0.496911D+00  0.264208D+00 -0.995848D+00  0.231874D+01
               186           187           188           189           190 
      1  -0.995848D+00  0.221562D+01 -0.171626D+01  0.117176D+01  0.940091D+01
      2   0.231874D+01 -0.171626D+01  0.329749D+01 -0.221211D+01  0.204419D+01
      3  -0.196301D+01  0.117176D+01 -0.221211D+01  0.170153D+01  0.303211D+00
               191           192           193           194           195 
      1   0.204419D+01  0.303211D+00  0.549026D+01  0.216106D+01 -0.126761D+00
      2   0.154836D+01  0.325146D-01  0.216106D+01  0.142437D+01  0.333012D+00
      3   0.325146D-01  0.794356D+00 -0.126761D+00  0.333012D+00  0.525295D+00
               196           197           198           199           200 
      1   0.106541D+01 -0.786017D-01  0.121432D+01 -0.456246D+01  0.106396D+01
      2  -0.786017D-01  0.514087D+00  0.393518D-01  0.106396D+01 -0.119655D+01
      3   0.121432D+01  0.393518D-01 -0.907051D-01 -0.214876D+01  0.411961D+00
               201           202           203           204           205 
      1  -0.214876D+01  0.690661D+00 -0.822582D+00  0.133389D+00 -0.348505D+01
      2   0.411961D+00 -0.822582D+00  0.173513D+00 -0.452968D+00  0.299049D+00
      3  -0.174475D+01  0.133389D+00 -0.452968D+00  0.359625D+00 -0.221604D+01
               206           207           208           209           210 
      1   0.299049D+00 -0.221604D+01 -0.126141D+01  0.135977D+01 -0.702728D+00
      2  -0.134000D+01  0.927677D+00  0.135977D+01 -0.180122D+01  0.108028D+01
      3   0.927677D+00 -0.249776D+01 -0.702728D+00  0.108028D+01 -0.422001D+00
               211           212           213           214           215 
      1   0.999487D+00 -0.143807D+01  0.787653D+00 -0.119814D+01  0.139812D+01
      2  -0.143807D+01  0.797246D+01 -0.318410D+01  0.139812D+01 -0.510263D+01
      3   0.787653D+00 -0.318410D+01  0.216745D+01 -0.573525D+00  0.361089D+01
               216           217           218           219           220 
      1  -0.573525D+00  0.168242D+01  0.940237D+00  0.118599D+01  0.743980D+00
      2   0.361089D+01  0.940237D+00  0.195369D+01  0.122769D+01  0.113795D+01
      3  -0.305746D+01  0.118599D+01  0.122769D+01  0.126365D+01  0.829256D+00
               221           222           223           224           225 
      1   0.113795D+01  0.829256D+00  0.162436D+01  0.115695D+01  0.126697D+01
      2   0.437481D+01  0.193557D+01  0.115695D+01  0.330352D+01  0.281827D+01
      3   0.193557D+01  0.182402D+01  0.126697D+01  0.281827D+01  0.339951D+01
               226           227           228           229           230 
      1  -0.146244D+01  0.179280D+00 -0.993076D+00  0.822257D+00 -0.292163D+00
      2   0.179280D+00 -0.371016D-01 -0.214470D+00 -0.292163D+00 -0.666807D+00
      3  -0.993076D+00 -0.214470D+00 -0.137302D+01 -0.987307D-01 -0.613856D+00
               231           232           233           234           235 
      1  -0.987307D-01 -0.281706D+01 -0.965919D+00 -0.231270D+01 -0.953728D+01
      2  -0.613856D+00 -0.965919D+00 -0.139613D+01 -0.663668D+00  0.609997D+00
      3   0.465040D-01 -0.231270D+01 -0.663668D+00 -0.633574D+01  0.291652D+01
               236           237           238           239           240 
      1   0.609997D+00  0.291652D+01  0.356052D+01 -0.103436D+01 -0.901969D+00
      2  -0.101140D+01 -0.307840D+00 -0.103436D+01  0.299161D+00  0.713838D+00
      3  -0.307840D+00 -0.186522D+01 -0.901969D+00  0.713838D+00  0.784559D+00
               241           242           243           244           245 
      1   0.443763D+01 -0.810246D-01 -0.265686D+01 -0.213075D+00 -0.513469D+00
      2  -0.810246D-01  0.107874D+01  0.217925D+00 -0.513469D+00  0.627198D+00
      3  -0.265686D+01  0.217925D+00  0.153463D+01  0.424164D+00 -0.919243D-01
               246           247           248           249           250 
      1   0.424164D+00 -0.169347D+01 -0.208133D+01  0.291938D+00  0.108194D+01
      2  -0.919243D-01 -0.208133D+01 -0.983119D+01  0.170530D+01  0.453909D+00
      3  -0.774964D-01  0.291938D+00  0.170530D+01 -0.130237D+01 -0.675316D+00
               251           252 
      1   0.453909D+00 -0.675316D+00
      2   0.219839D+01 -0.143904D+01
      3  -0.143904D+01  0.524283D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.477569D+01 -0.356960D+01 -0.339967D+01 -0.402999D+01  0.687161D+01
      2  -0.336171D+01 -0.229772D+01 -0.655230D+01 -0.296834D+01  0.322466D+01
      3  -0.866382D+01 -0.105486D+02  0.620561D+01 -0.374108D+01  0.711465D+01
                 6             7             8             9            10 
      1   0.999792D+00 -0.477573D+01  0.583683D+01 -0.294749D+00  0.457801D+01
      2   0.406917D+01 -0.154238D+02  0.539919D+01  0.174033D+00 -0.409806D+01
      3  -0.905068D-01  0.779232D+01 -0.608292D+00  0.517006D+00  0.873935D+01
                11            12            13            14            15 
      1   0.249596D+01 -0.142482D+01  0.210488D+01 -0.391990D+01 -0.973885D+00
      2  -0.132133D+01  0.469527D+01 -0.200415D+01 -0.250092D+01 -0.202627D+01
      3  -0.431969D+01 -0.250878D+01  0.303695D+01 -0.121137D+02  0.143880D+01
                16            17            18            19            20 
      1  -0.611243D+00  0.623061D+01 -0.479630D+01  0.216263D+01  0.107580D+02
      2   0.842808D+00 -0.232714D+01  0.153269D+02 -0.205849D+01  0.141039D+01
      3  -0.284376D+01  0.332698D+01  0.214758D+01  0.357522D+01  0.465047D+01
                21            22            23            24            25 
      1   0.285985D+01  0.105119D+02 -0.338015D+01  0.561134D+01  0.426679D+01
      2   0.198680D+01  0.167508D+01  0.538334D-01 -0.475518D+00 -0.205101D+01
      3  -0.260418D+01  0.114756D+02  0.143008D+00 -0.858767D+01 -0.299113D+01
                26            27            28            29            30 
      1   0.146675D+02  0.393730D+01  0.117115D+01 -0.785430D+01 -0.551510D+01
      2  -0.143339D+01  0.163401D+01 -0.146910D+00  0.408847D+01  0.138029D+01
      3  -0.100093D+02 -0.269401D+01  0.243960D+01 -0.507038D+01 -0.225320D+01
                31            32            33            34            35 
      1  -0.736018D+01 -0.282347D+01 -0.808992D+01 -0.382333D+01 -0.937920D+00
      2   0.407605D+01  0.109991D+00  0.923830D+01 -0.538756D+01  0.106338D+02
      3   0.886555D+00 -0.388814D+01  0.638088D+01 -0.476472D+01  0.843107D+01
                36            37            38            39            40 
      1  -0.335948D+01  0.489866D+01  0.422563D+00 -0.125561D-01  0.224385D+01
      2  -0.220545D+01  0.548778D+01 -0.499038D+01  0.379804D+01 -0.683494D+01
      3  -0.402645D+01 -0.136385D+02 -0.117687D+02  0.210913D+01 -0.326984D+01
                41            42            43            44            45 
      1   0.110469D+01 -0.403110D+01 -0.997343D+00  0.473400D+01 -0.389777D+01
      2   0.728676D+01 -0.713291D+01 -0.718378D+01 -0.726437D+01 -0.676145D+01
      3   0.436874D+01 -0.561590D+01  0.108513D+01 -0.974966D+01  0.737641D+01
                46            47            48            49            50 
      1  -0.619860D+01 -0.797161D+00 -0.118361D+01  0.125761D+00 -0.176318D+00
      2  -0.208956D+01 -0.124767D+01  0.422920D+00 -0.452187D+00  0.257848D+00
      3   0.554067D+01  0.330193D+01  0.328331D+01  0.112594D+02  0.333763D+01
                51            52            53            54            55 
      1  -0.759799D+01 -0.285743D+01 -0.194781D+01  0.974395D+01  0.273549D+01
      2   0.220963D+01 -0.572865D+01 -0.340553D+00 -0.269249D+01  0.555492D+01
      3   0.658331D+00  0.731875D+01  0.567963D+00 -0.821163D+00 -0.540482D+00
                56            57            58            59            60 
      1   0.615587D+01  0.105250D+02  0.253799D+01  0.288751D+01  0.520734D+01
      2  -0.229917D+01  0.144180D+02 -0.240073D+01 -0.739108D+01 -0.112599D+02
      3  -0.142273D+01 -0.251249D+01  0.269389D+01  0.134499D+01  0.181442D+01
                61            62            63            64            65 
      1   0.911261D+01  0.854869D+01 -0.795666D+01 -0.177076D+01  0.396398D+00
      2   0.585919D+01 -0.780828D+01  0.824297D+00 -0.199394D+01  0.163501D+01
      3  -0.123690D+01  0.168898D+01  0.103537D+00 -0.118809D+01 -0.187981D+01
                66            67            68            69            70 
      1   0.288506D+01  0.147637D+01 -0.115056D+01 -0.312640D+01  0.393418D+01
      2   0.480782D+01  0.132295D+01 -0.358940D+01 -0.388512D+01  0.306587D+01
      3   0.211758D+00  0.176464D+01  0.248834D+01  0.139826D+01  0.185397D+01
                71            72            73            74            75 
      1   0.242944D+00 -0.613537D+01 -0.611433D+01 -0.581640D+00  0.367662D+01
      2  -0.424936D+01 -0.847135D+01  0.106540D+02 -0.870882D-01 -0.543908D+01
      3   0.447867D+01  0.185372D+00 -0.180534D+02 -0.170853D+01  0.650795D+01
                76            77            78            79            80 
      1  -0.970310D-01 -0.291715D+01 -0.230364D+01  0.568136D+01  0.179576D+01
      2  -0.115031D+00  0.705571D+01  0.141810D+01 -0.134373D+02 -0.156406D+01
      3   0.108048D+02  0.245918D+02 -0.832162D+01  0.649018D+01 -0.778731D+01
                81            82            83            84            85 
      1   0.762167D+01  0.462331D+00 -0.231377D+00  0.707154D+00 -0.171141D+00
      2  -0.175405D+02 -0.358033D+01  0.882544D-01 -0.156909D+01  0.383865D+00
      3  -0.452153D+01 -0.202031D+01 -0.308136D+00 -0.405010D+00  0.240561D+01
                86            87            88            89            90 
      1   0.514893D+00 -0.722284D+00  0.106705D+01  0.305616D+01  0.469981D+01
      2  -0.164462D+01  0.155045D+01 -0.711415D+01  0.138615D+01 -0.149047D+02
      3   0.538530D+00  0.196821D+01 -0.147695D+01  0.206684D+01 -0.146881D+01
                91            92            93            94            95 
      1  -0.454012D+00 -0.176685D+01 -0.196252D+01 -0.498381D+00 -0.277487D+01
      2   0.431443D+01  0.866777D+00  0.255834D+01  0.181928D+01  0.747486D+00
      3   0.552623D+01 -0.263085D+01 -0.761631D+00  0.339219D+01 -0.172338D+01
                96            97            98            99           100 
      1  -0.168583D+01 -0.104182D+01  0.180285D+01  0.256787D+01 -0.105072D+02
      2   0.823939D+00 -0.169675D+01 -0.458661D+00 -0.148113D+01 -0.259564D+01
      3  -0.450774D+00 -0.200492D+01  0.173439D+00  0.124647D+01  0.930518D+01
               101           102           103           104           105 
      1  -0.192474D+01  0.185492D+01 -0.553582D+01  0.235920D+01 -0.138962D+02
      2   0.125284D+02  0.125722D+02  0.146275D+02 -0.478067D+01  0.346219D+01
      3  -0.374135D+00 -0.273828D+01  0.489162D+01 -0.235230D+01  0.882068D+01
               106           107           108           109           110 
      1   0.391343D+01 -0.643393D+01  0.646333D+01 -0.866577D+00  0.181741D+01
      2   0.626481D+01  0.193154D+01  0.112967D+01 -0.705150D+01  0.291263D+01
      3  -0.367984D+01  0.669186D+01 -0.509255D+01  0.195406D+02  0.848670D+01
               111           112           113           114           115 
      1  -0.236872D+00  0.271769D+01 -0.450847D+01  0.317790D+01 -0.255124D+01
      2   0.183667D+01  0.265129D+01 -0.904539D+01  0.108356D+02 -0.687441D+01
      3  -0.213377D+01  0.183734D+02 -0.986157D+01  0.645943D+01 -0.188017D+01
               116           117           118           119           120 
      1   0.800213D+01  0.594382D+01  0.125176D+01 -0.207160D+00 -0.295791D-01
      2   0.130376D+02  0.166106D+02 -0.429820D+00 -0.204566D+00  0.105312D+01
      3   0.732132D+01 -0.108470D+02 -0.170561D+00 -0.568119D+00 -0.554098D+00
               121           122           123           124           125 
      1   0.431732D+00  0.267903D+01 -0.571717D+01  0.202182D+00 -0.401299D+00
      2  -0.740013D-02 -0.707472D+00  0.354742D+00 -0.153412D+01  0.183444D+00
      3   0.762325D+01 -0.133589D+01 -0.185944D+00 -0.150878D+01 -0.252314D+00
               126           127           128           129           130 
      1  -0.227991D-01  0.232398D+01 -0.433240D+01 -0.194562D+01 -0.273142D+01
      2  -0.800460D-02  0.765802D+01 -0.289389D+01 -0.294507D+01 -0.414944D+01
      3   0.648609D-02 -0.164108D+01 -0.606769D+00  0.760617D+00  0.249067D+01
               131           132           133           134           135 
      1   0.416740D+01  0.889220D+00 -0.193816D+01  0.447719D+01  0.287905D+01
      2   0.267561D+01  0.255292D+01 -0.651813D+01  0.251086D+01  0.291300D+01
      3  -0.175553D+00 -0.225157D+00  0.141977D+01  0.588084D+00 -0.657594D+00
               136           137           138           139           140 
      1  -0.187077D+01  0.437773D+01 -0.259260D+01  0.201088D+01 -0.244643D+01
      2  -0.154984D+02  0.107206D+01 -0.473800D+01  0.306422D+01 -0.166426D+01
      3   0.122729D+01 -0.285177D+01  0.127112D+01  0.585478D+00  0.633122D+00
               141           142           143           144           145 
      1   0.116343D+00 -0.171412D+01  0.277139D+01 -0.965116D+00  0.429071D+01
      2   0.223738D+01 -0.709324D+01  0.988318D+00 -0.424419D+01  0.145522D+02
      3  -0.297294D+00  0.278172D+00 -0.187512D+01  0.918866D+00 -0.566322D+01
               146           147           148           149           150 
      1  -0.493758D+01 -0.524409D+00 -0.374226D+01  0.486033D+01  0.852779D+00
      2  -0.617683D+01 -0.479779D+01 -0.721817D+01  0.525351D+01  0.309338D+01
      3   0.169022D+01  0.168885D+01  0.431560D+01 -0.266558D+01 -0.224738D+01
               151           152           153           154           155 
      1  -0.136250D+01  0.343734D+01  0.990234D+00  0.639854D+01  0.568040D+01
      2  -0.729216D+01  0.341367D+01  0.523566D+01 -0.890903D+01 -0.415637D+01
      3   0.227408D+01 -0.121024D+01 -0.183621D+01 -0.276233D+01 -0.576636D+01
               156           157           158           159           160 
      1   0.755792D+00  0.490498D+01  0.541676D+01  0.138253D+01  0.619711D+00
      2   0.164700D+01 -0.621987D+01 -0.196946D+01  0.794893D+00 -0.171823D+01
      3  -0.177549D+01 -0.152257D+01 -0.500073D+01 -0.251831D+01  0.507174D-02
               161           162           163           164           165 
      1   0.223475D+01  0.852009D+00 -0.692842D+00  0.182247D+01 -0.851440D+00
      2  -0.404671D+00 -0.670726D+00  0.665631D+00 -0.220255D+00  0.238963D-01
      3  -0.111741D+01 -0.486315D+00  0.566551D+00 -0.185931D+01  0.993387D+00
               166           167           168           169           170 
      1   0.294466D+01 -0.107937D+02  0.506706D+01 -0.201303D+01  0.775479D+01
      2   0.134374D+01  0.361551D+01 -0.650933D+01 -0.259684D+01 -0.272319D+01
      3  -0.148925D+00  0.731982D+01 -0.585190D+01  0.503166D+00 -0.431014D+01
               171           172           173           174           175 
      1  -0.570283D+01 -0.168316D+01  0.810118D-01 -0.237969D+00 -0.237656D-01
      2   0.575977D+01 -0.322611D+01  0.881821D+00  0.698771D-01  0.461904D+00
      3   0.465301D+01 -0.139155D+00 -0.101082D+01  0.772651D+00 -0.772257D+00
               176           177           178           179           180 
      1   0.150866D+00 -0.308613D+01  0.169706D+00  0.512320D+00 -0.849870D+01
      2  -0.276053D+01 -0.584388D+01 -0.189793D+01 -0.599979D+01 -0.209598D+02
      3   0.346145D+01  0.286691D+01  0.145592D+01  0.418835D+01  0.594588D+01
               181           182           183           184           185 
      1   0.118828D+01 -0.891505D+00  0.894348D+00 -0.183949D+01  0.370214D+01
      2   0.247299D+01 -0.184947D+01  0.218131D+01 -0.249068D+01  0.779545D+01
      3   0.111115D+01 -0.352770D+01  0.664420D+00 -0.417695D+01  0.171433D+02
               186           187           188           189           190 
      1  -0.603602D+01  0.125792D+01 -0.199035D+01  0.382816D+01 -0.364975D+00
      2  -0.738154D+01  0.193060D+01 -0.636536D+01  0.537892D+01  0.294295D+01
      3  -0.586295D+01  0.102491D+01 -0.861353D+01  0.541080D+01 -0.161031D+02
               191           192           193           194           195 
      1  -0.373070D+00  0.228978D+00 -0.546289D+00 -0.130433D+00 -0.105565D+01
      2   0.107336D+01  0.574711D+01  0.100543D+01  0.172198D+01  0.285719D+01
      3  -0.103099D+02 -0.515396D+00 -0.983235D+01 -0.808518D+01 -0.109564D+01
               196           197           198           199           200 
      1   0.973700D+00  0.384390D+00 -0.263305D+00  0.361122D+01  0.361888D+00
      2   0.219658D+01 -0.991448D-01  0.141189D-01  0.506539D+01 -0.986211D+00
      3  -0.535821D+00 -0.188204D+01 -0.106999D+01 -0.453077D+01 -0.350473D+01
               201           202           203           204           205 
      1   0.307402D+01 -0.811855D-01  0.406136D+00 -0.161970D+01  0.296323D+01
      2   0.678342D+01 -0.131281D+00  0.118790D+01 -0.934193D+00  0.406135D+01
      3  -0.237343D+01  0.692441D+00 -0.167018D+01 -0.542521D+00 -0.498796D+01
               206           207           208           209           210 
      1  -0.697001D-01  0.468610D+01  0.113006D+01 -0.257297D+01  0.149666D+01
      2  -0.197600D+01  0.764028D+01 -0.814061D+00  0.297670D+00  0.118945D+01
      3  -0.382736D+01 -0.136611D+01 -0.346905D+01  0.940188D+00 -0.133559D+01
               211           212           213           214           215 
      1  -0.161858D+01  0.482605D+01 -0.733057D+01  0.233179D+00 -0.508659D+01
      2   0.103718D+01  0.190805D+00 -0.930503D+00 -0.199561D+01 -0.103788D+00
      3   0.463727D+01 -0.728475D+00  0.932767D+00 -0.432527D+01  0.144157D+01
               216           217           218           219           220 
      1   0.762332D+01 -0.365997D+01 -0.303458D+01 -0.473383D+01 -0.227879D+01
      2   0.704270D+00  0.664293D-01 -0.347432D+00  0.754175D+00 -0.836000D+00
      3   0.231000D-01  0.551807D+01  0.456587D+00  0.347453D+01  0.351575D+01
               221           222           223           224           225 
      1  -0.502860D+01 -0.649470D+01 -0.424004D+01 -0.558475D+01 -0.119239D+02
      2  -0.785501D+00  0.352364D+00 -0.229941D+01 -0.273156D+00 -0.100177D+01
      3   0.279443D+01  0.268756D+01  0.655426D+01  0.322537D+01  0.365278D+01
               226           227           228           229           230 
      1  -0.174395D+01  0.101841D+00 -0.212770D+01 -0.377380D+00 -0.890875D+00
      2   0.335330D+01  0.960563D+00  0.485688D+01  0.804780D+00  0.183769D+01
      3   0.226075D+01 -0.110454D+01  0.696151D+00 -0.468180D+00 -0.115202D+01
               231           232           233           234           235 
      1  -0.800048D+00 -0.272204D+01  0.207026D+01 -0.102484D+02  0.401013D+01
      2  -0.561455D+00  0.346214D+01  0.130766D+01  0.222934D+02 -0.517969D+01
      3  -0.140575D+01  0.115816D+01 -0.400131D+01  0.152173D+01  0.152798D+02
               236           237           238           239           240 
      1  -0.153911D+01 -0.237507D+01 -0.121834D+01  0.138602D+01  0.518466D+00
      2   0.990938D+00  0.803541D+01  0.126246D+01 -0.188170D+01 -0.301817D+01
      3  -0.719699D+01 -0.525681D+01 -0.620212D+01  0.299227D+01  0.333904D+01
               241           242           243           244           245 
      1  -0.298501D+01  0.208952D+01  0.155591D+01  0.489921D+00  0.142475D+00
      2   0.493185D+01 -0.846200D+00 -0.418806D+01 -0.144047D+01  0.224834D+00
      3  -0.617170D+01  0.478068D+01  0.409288D+01 -0.206466D+01  0.108528D+01
               246           247           248           249           250 
      1   0.194930D+00 -0.174951D+00 -0.344446D+00 -0.473049D+01 -0.743863D+00
      2   0.698249D+00  0.292469D+00 -0.429374D+01  0.410850D+01  0.419140D+00
      3  -0.866036D+00  0.980225D-01 -0.275048D+02  0.485121D+01 -0.805908D+00
               251           252 
      1  -0.469809D+00  0.627499D+00
      2   0.343014D+01 -0.826525D+00
      3   0.627286D+01 -0.291415D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.404772D+01  0.987483D+01 -0.111570D+02  0.720185D+01 -0.179949D+01
      2   0.292535D+01 -0.679220D+01  0.610512D+01 -0.490790D+01  0.426294D+01
      3   0.112238D+01 -0.308263D+01  0.505188D+01 -0.229395D+01 -0.246346D+01
      4   0.152686D+02 -0.420755D+01 -0.281469D+00 -0.897015D+01 -0.975167D+01
      5  -0.256004D+01 -0.529717D+01 -0.144797D+02 -0.700759D+01  0.540433D+01
      6  -0.200897D+00  0.722747D+01  0.831885D+01  0.750684D+01 -0.677471D+01
                 6             7             8             9            10 
      1   0.428430D-01 -0.145656D+02 -0.219015D+01 -0.132970D+02 -0.331394D+01
      2  -0.167217D+01  0.973655D+01  0.302614D+01  0.685066D+01 -0.100386D+01
      3   0.162932D+01  0.482904D+01 -0.835997D+00  0.644636D+01  0.431780D+01
      4   0.818662D+01 -0.154983D+01  0.117062D+02  0.197098D+02 -0.222295D+02
      5   0.782733D+01 -0.219836D+02  0.135470D+02  0.393925D+01 -0.499414D+01
      6  -0.655764D+01  0.143884D+02 -0.759410D+01 -0.715811D+01 -0.690509D+00
                11            12            13            14            15 
      1  -0.126860D+02 -0.385353D+01 -0.168070D+02 -0.858048D+01 -0.230595D+01
      2   0.215140D+01  0.140559D+01  0.630215D+01  0.941192D+01  0.744451D+00
      3   0.105346D+02  0.244794D+01  0.105048D+02 -0.831444D+00  0.156150D+01
      4  -0.128144D+02 -0.229794D+01 -0.116943D+02  0.122479D+02 -0.382994D+00
      5   0.224370D+01  0.436328D+01  0.144130D+01 -0.107060D+01 -0.312128D+01
      6  -0.258557D+01  0.396040D+00 -0.101434D+01 -0.818175D+00 -0.202794D+01
                16            17            18            19            20 
      1  -0.267298D+01 -0.412861D+01  0.202180D+02 -0.500368D+01 -0.530750D+01
      2   0.134125D+01 -0.288655D+01  0.215707D+01  0.431455D+01  0.502784D+00
      3   0.133173D+01  0.701516D+01 -0.223751D+02  0.689122D+00  0.480471D+01
      4  -0.470007D+01 -0.533695D+01 -0.164902D+01  0.263652D+00 -0.456584D+01
      5   0.130217D+02 -0.275755D+01  0.145986D+02 -0.322607D+01  0.109627D+01
      6   0.162443D+01  0.131466D+01  0.123786D+02 -0.272355D+01 -0.147289D+02
                21            22            23            24            25 
      1   0.109280D+02 -0.716694D+01  0.184022D+02 -0.552824D+01  0.162878D+02
      2  -0.162671D+02  0.419574D+01 -0.218569D+02  0.712847D+01 -0.187426D+02
      3   0.533902D+01  0.297120D+01  0.345469D+01 -0.160023D+01  0.245477D+01
      4  -0.179536D+01  0.224710D+01  0.453836D+01 -0.136232D+02 -0.419461D+01
      5  -0.197852D+01  0.125112D+01 -0.706890D+01  0.273177D+00  0.899470D+00
      6   0.120152D+01 -0.144675D+02  0.125629D+02 -0.163600D+02 -0.304029D+01
                26            27            28            29            30 
      1  -0.893820D+01  0.163636D+02 -0.448559D+01 -0.248331D+01 -0.164344D+01
      2   0.103848D+02 -0.222901D+02  0.390622D+01  0.117061D+02  0.918416D+01
      3  -0.144661D+01  0.592654D+01  0.579371D+00 -0.922281D+01 -0.754072D+01
      4  -0.139217D+02 -0.342951D+01 -0.142063D+02 -0.135104D+02  0.137148D+02
      5  -0.750477D+00 -0.381482D+01  0.109610D+02  0.120186D+02 -0.111699D+02
      6  -0.264776D+02  0.144568D+01  0.884248D+01  0.121243D+02 -0.128037D+02
                31            32            33            34            35 
      1   0.163106D+01 -0.621239D+01  0.717880D+01 -0.334366D+01  0.136683D+02
      2   0.451593D+01  0.118779D+02 -0.477332D+01  0.767007D+01 -0.610204D+01
      3  -0.614699D+01 -0.566550D+01 -0.240549D+01 -0.432641D+01 -0.756630D+01
      4  -0.138725D+02 -0.647873D+01  0.599770D+01  0.195865D+02  0.571723D+01
      5   0.821411D+01  0.233385D+01 -0.268246D+01 -0.964303D+01 -0.314519D+01
      6   0.805594D+01  0.252273D+01 -0.697783D+01 -0.935192D+01  0.110196D+00
                36            37            38            39            40 
      1  -0.606547D+01  0.443782D+01  0.169658D+02  0.143670D+02  0.183808D+02
      2   0.871603D+01 -0.107108D+02 -0.116106D+02 -0.645148D+01 -0.942476D+01
      3  -0.265056D+01  0.627301D+01 -0.535522D+01 -0.791550D+01 -0.895599D+01
      4  -0.898166D-01  0.161328D+02 -0.567489D+00 -0.104150D+02  0.151383D+01
      5  -0.881305D+00  0.158558D+02 -0.466915D+01  0.735637D+01 -0.220942D+01
      6   0.189139D+00 -0.206134D+01  0.575910D+00  0.368100D+01  0.419070D+01
                41            42            43            44            45 
      1  -0.310644D+01 -0.112834D+01  0.157682D+02 -0.478808D+01  0.617151D+01
      2   0.697626D+00  0.611160D+01 -0.787088D+01  0.337734D+01 -0.255949D+00
      3   0.240881D+01 -0.498325D+01 -0.789737D+01  0.141074D+01 -0.591556D+01
      4  -0.463612D+01  0.105665D+02 -0.134092D+02  0.906109D+01 -0.117003D+02
      5   0.125339D+02 -0.740095D+01  0.393214D+01 -0.100412D+02 -0.633270D+01
      6  -0.915371D+00  0.769522D+01 -0.254944D+01 -0.412503D+00 -0.278720D+01
                46            47            48            49            50 
      1  -0.874426D+01 -0.611797D-01 -0.365962D+01  0.333216D+00  0.248520D+02
      2   0.557228D+01  0.503405D+01  0.471590D+01  0.103813D+01 -0.388729D+02
      3   0.317198D+01 -0.497287D+01 -0.105628D+01 -0.137134D+01  0.140209D+02
      4   0.391451D+01  0.239866D+01  0.255405D+01  0.401136D+01  0.156236D+01
      5  -0.675779D+01 -0.425603D+01 -0.410792D+01 -0.536912D+01 -0.766954D+01
      6  -0.159362D+00  0.101406D+01 -0.508794D+01 -0.350734D+01 -0.347528D+01
                51            52            53            54            55 
      1  -0.774738D+01 -0.142117D+01 -0.190303D+01  0.766566D+00  0.599002D+01
      2  -0.792549D+00  0.439593D+01 -0.102725D+01  0.876951D+01  0.863544D+01
      3   0.853992D+01 -0.297477D+01  0.293029D+01 -0.953607D+01 -0.146255D+02
      4  -0.448113D+01  0.608044D+01  0.190084D+01  0.161425D+01  0.173477D+01
      5   0.947087D+00 -0.207521D+01  0.175403D+01 -0.176268D+01 -0.596557D+01
      6  -0.622245D-01  0.203833D+00  0.398467D+01 -0.222175D+01  0.824550D+00
                56            57            58            59            60 
      1  -0.725652D+01 -0.396064D-01 -0.728455D+01 -0.520175D+01  0.710566D+01
      2  -0.937767D+01 -0.360484D+00 -0.780397D+01 -0.124717D+01  0.550658D+01
      3   0.166342D+02  0.400090D+00  0.150885D+02  0.644892D+01 -0.126122D+02
      4  -0.152133D+01 -0.209384D+01 -0.126429D+01  0.156902D+01  0.371578D+01
      5   0.144417D+01 -0.143336D+02  0.319686D+01  0.745771D+01  0.102328D+02
      6   0.420865D+01  0.162369D+02  0.797201D+01  0.128663D+01  0.200038D+01
                61            62            63            64            65 
      1  -0.264448D+01  0.901693D+00 -0.204181D+01  0.106459D+02 -0.478865D+01
      2  -0.175626D+01  0.868732D+01 -0.126801D+01 -0.553301D+01  0.835000D+00
      3   0.440075D+01 -0.958901D+01  0.330982D+01 -0.511290D+01  0.395365D+01
      4  -0.689605D+01 -0.371395D+00  0.447646D+01 -0.151884D+02  0.120941D+02
      5  -0.933800D+01  0.819212D+01  0.182063D+01 -0.123981D+02  0.683508D+01
      6   0.116171D+02 -0.120819D+01 -0.701599D+01  0.770776D+01 -0.642402D+01
                66            67            68            69            70 
      1  -0.410703D+01 -0.251197D+01 -0.338765D+01 -0.197288D+01 -0.598617D+01
      2   0.278146D+01 -0.130973D+01  0.810990D+01  0.305561D+01  0.517942D+01
      3   0.132557D+01  0.382170D+01 -0.472225D+01 -0.108273D+01  0.806745D+00
      4   0.869848D+01  0.141401D+02 -0.132808D+02 -0.110958D+02  0.140824D+02
      5   0.128774D+02  0.661525D+01 -0.923364D+01 -0.805256D+01  0.183137D+02
      6  -0.710180D+01 -0.768260D+01  0.110040D+02  0.106593D+02 -0.123807D+02
                71            72            73            74            75 
      1  -0.179073D+01  0.119545D+00 -0.218947D+02  0.194196D+02  0.202546D+02
      2   0.205419D+01 -0.625383D+01  0.231601D+02 -0.621401D+01 -0.124355D+02
      3  -0.263458D+00  0.613429D+01 -0.126548D+01 -0.132056D+02 -0.781907D+01
      4  -0.152745D+02 -0.160457D+02  0.243602D+02  0.162256D+02  0.173607D+00
      5  -0.118964D+02 -0.206584D+02  0.244034D+02 -0.464019D+01 -0.164345D+02
      6   0.137862D+02  0.180568D+02  0.462672D+01 -0.338519D+00 -0.409549D+01
                76            77            78            79            80 
      1   0.326828D+02  0.227413D+02 -0.944792D+01  0.237055D+02 -0.590431D+01
      2  -0.186567D+02 -0.319349D+02  0.115629D+02 -0.117270D+02  0.103163D+02
      3  -0.140261D+02  0.919360D+01 -0.211499D+01 -0.119785D+02 -0.441195D+01
      4   0.111214D+02 -0.276383D+02  0.957505D+01  0.380317D+01  0.107477D+02
      5  -0.626614D+01  0.110399D+02  0.392223D+01 -0.236053D+02 -0.175754D+00
      6   0.540756D+00  0.131339D+02 -0.108940D+01 -0.690737D+01 -0.213033D+01
                81            82            83            84            85 
      1  -0.178349D+02 -0.650951D+00  0.226401D+01 -0.192752D+01  0.220498D+01
      2   0.122727D+02 -0.316563D+01 -0.575525D+00  0.406284D+00 -0.712077D+00
      3   0.556224D+01  0.381659D+01 -0.168848D+01  0.152124D+01 -0.149290D+01
      4  -0.382694D+01  0.198832D+01  0.311324D+01 -0.793930D+00  0.432733D+01
      5  -0.269875D+02  0.411029D+00 -0.513106D+00  0.579241D+01 -0.327796D+00
      6  -0.133327D+02 -0.105584D+01  0.650857D+00 -0.561826D+00  0.494725D+00
                86            87            88            89            90 
      1  -0.359912D+01  0.320833D+01 -0.503920D+01  0.312408D+01 -0.206461D+02
      2   0.960946D+00 -0.865285D+00  0.113602D+01  0.161274D+01 -0.131599D+02
      3   0.263817D+01 -0.234304D+01  0.390318D+01 -0.473682D+01  0.338059D+02
      4   0.750894D+00 -0.240788D+01 -0.288840D+01 -0.427210D+01  0.209235D+01
      5  -0.202517D+01  0.260821D+01  0.417365D+01  0.355212D+01 -0.182016D+02
      6  -0.358161D+01  0.804649D+01  0.282356D+00  0.619664D+01 -0.122062D+02
                91            92            93            94            95 
      1   0.152901D+02  0.399932D+01 -0.245994D+01  0.573642D+00 -0.374676D+01
      2  -0.823397D+01  0.376042D+00  0.264768D+01  0.284051D+01  0.963597D+01
      3  -0.705611D+01 -0.437536D+01 -0.187738D+00 -0.341415D+01 -0.588920D+01
      4   0.237917D+02  0.187533D+02 -0.121315D+02  0.161877D+02  0.167691D+02
      5  -0.201142D+02 -0.123680D+02  0.158053D+02 -0.915720D+01 -0.990299D+01
      6  -0.128176D+02 -0.115017D+02  0.102669D+02 -0.101224D+02 -0.136964D+02
                96            97            98            99           100 
      1   0.194466D+01 -0.966612D+00  0.173232D+01 -0.251945D+01 -0.299008D+01
      2  -0.167931D+01  0.243943D+01  0.242239D+00 -0.528404D+01  0.512332D+01
      3  -0.265351D+00 -0.147282D+01 -0.197456D+01  0.780349D+01 -0.213324D+01
      4  -0.923615D+01 -0.100918D+02 -0.843110D+01  0.965144D+01 -0.201714D+02
      5   0.677078D+01  0.140155D+02  0.904661D+01 -0.120319D+02 -0.172709D+02
      6   0.102987D+02  0.980933D+01  0.104317D+02 -0.120066D+02 -0.170677D+02
               101           102           103           104           105 
      1  -0.204468D+02 -0.150072D+02 -0.239043D+02  0.293082D+01 -0.854902D+01
      2   0.495478D+01  0.325410D+01  0.565136D+01  0.904100D+01 -0.704633D+01
      3   0.154920D+02  0.117531D+02  0.182530D+02 -0.119718D+02  0.155953D+02
      4  -0.830957D+01 -0.168874D+01 -0.114028D+02  0.232076D+01 -0.155022D+02
      5  -0.116276D+02 -0.785349D+01 -0.120331D+02 -0.168171D+02  0.105683D+02
      6  -0.679856D+01  0.253595D+01 -0.102316D+02  0.694255D+01 -0.204451D+02
               106           107           108           109           110 
      1  -0.116131D+02 -0.387337D+01 -0.265973D+01 -0.236323D+02 -0.310469D+02
      2   0.257989D+01 -0.722209D+01 -0.599471D+01  0.174522D+02  0.185590D+02
      3   0.903320D+01  0.110955D+02  0.865444D+01  0.618017D+01  0.124879D+02
      4   0.259831D+01 -0.100211D+02  0.112449D+02 -0.293294D+02 -0.204446D+01
      5  -0.741266D+01  0.118576D+02  0.716364D+01 -0.114365D+02  0.818084D+01
      6   0.756643D+01 -0.143038D+02  0.144982D+02  0.647487D+01 -0.315525D+01
               111           112           113           114           115 
      1  -0.108807D+02 -0.399687D+02 -0.300377D+01  0.252284D+01 -0.118160D+02
      2   0.219103D+01  0.255583D+02 -0.792906D+01  0.619594D+01  0.134506D+01
      3   0.868970D+01  0.144105D+02  0.109328D+02 -0.871878D+01  0.104709D+02
      4   0.893028D+01 -0.101143D+02  0.176479D+02 -0.155422D+02  0.111780D+02
      5   0.894587D+00  0.966795D+01 -0.140862D+02  0.152184D+02 -0.288002D+01
      6   0.426537D+00 -0.476477D+01  0.907360D+01 -0.905871D+01  0.354952D+01
               116           117           118           119           120 
      1   0.246596D+01  0.600370D+01 -0.537204D-01  0.184623D+01 -0.412054D+00
      2   0.803552D+01 -0.664175D+01  0.397955D+01 -0.269516D+01 -0.575474D+00
      3  -0.105015D+02  0.638050D+00 -0.392583D+01  0.848937D+00  0.987528D+00
      4  -0.166815D+02  0.167611D+02 -0.626502D-01  0.104801D+02 -0.104741D+01
      5   0.176339D+02  0.219415D+02  0.542810D+00  0.363773D+00  0.303454D+01
      6  -0.813698D+01 -0.880969D+01  0.151960D+00 -0.380306D+00  0.179437D-01
               121           122           123           124           125 
      1   0.522695D+00 -0.303273D+02 -0.448535D+00 -0.613226D+00  0.377129D+00
      2   0.129054D+01  0.554164D+02 -0.529351D+00 -0.895799D+00 -0.193831D+01
      3  -0.181323D+01 -0.250891D+02  0.977886D+00  0.150903D+01  0.156118D+01
      4   0.828765D+01  0.138395D+01  0.299230D+00 -0.186066D+01 -0.643265D+00
      5   0.194063D+00  0.132302D+01  0.343817D+00  0.224613D+01  0.118811D+00
      6   0.459572D+00  0.533089D+01  0.678504D+01  0.787392D+00  0.864281D+01
               126           127           128           129           130 
      1  -0.431196D+01 -0.185929D+00  0.185873D+01  0.700861D+01  0.239970D+01
      2   0.391682D+01 -0.730507D+01  0.339800D+01  0.807537D+01  0.166918D+01
      3   0.395133D+00  0.749100D+01 -0.525673D+01 -0.150840D+02 -0.406889D+01
      4   0.300294D+00 -0.484801D+01  0.371200D+01  0.358074D+01  0.416065D+01
      5   0.120063D+01 -0.882823D+01  0.434862D+01  0.125670D+02  0.412746D+01
      6   0.569918D+00  0.531863D+01 -0.602616D+01 -0.789791D+01 -0.592360D+01
               131           132           133           134           135 
      1  -0.622684D+01 -0.953549D+01  0.435305D+01 -0.674478D+01 -0.176264D+02
      2  -0.456021D-01 -0.366450D+01  0.547330D+01 -0.449882D+01 -0.159982D+02
      3   0.627245D+01  0.132000D+02 -0.982636D+01  0.112436D+02  0.336246D+02
      4  -0.367514D+01 -0.349139D+01  0.312160D+01 -0.280606D+01 -0.461109D+01
      5  -0.507665D+01 -0.534304D+01  0.105808D+02 -0.529357D+01 -0.126773D+02
      6   0.112112D+02  0.133052D+02 -0.628387D+01  0.101605D+02  0.155715D+02
               136           137           138           139           140 
      1   0.154576D+01  0.171132D+01 -0.632228D+01  0.187979D+01 -0.166110D+01
      2  -0.109656D+02  0.148818D+01 -0.114588D+02  0.237111D+01  0.539492D+00
      3   0.941985D+01 -0.319950D+01  0.177811D+02 -0.425091D+01  0.112160D+01
      4   0.819393D+00  0.385450D+01 -0.236103D+00  0.367431D+01 -0.694883D+00
      5   0.192207D+02 -0.212075D+01  0.176095D+02 -0.388127D+01  0.250851D+01
      6  -0.257390D+01  0.409296D+01 -0.357337D+01  0.308278D+01 -0.395998D+01
               141           142           143           144           145 
      1   0.224589D+01 -0.249073D+01  0.808873D+00 -0.898460D+01 -0.791472D+01
      2   0.159185D+01 -0.809206D+01 -0.255991D+00 -0.123682D+02  0.162413D+01
      3  -0.383773D+01  0.105828D+02 -0.552882D+00  0.213528D+02  0.629059D+01
      4   0.124450D+01  0.360215D+00  0.151740D+01 -0.632652D+00  0.209098D+01
      5  -0.430336D+01  0.140077D+02 -0.219339D+01  0.145216D+02 -0.869164D+01
      6   0.587026D+01 -0.263261D+01  0.464330D+01 -0.180739D+01  0.664744D+01
               146           147           148           149           150 
      1   0.840611D+01  0.109136D+02  0.869844D+01 -0.864309D+01 -0.657955D+01
      2  -0.242593D+01  0.328233D+01 -0.341160D+01  0.335832D+01 -0.768106D+00
      3  -0.598019D+01 -0.141959D+02 -0.528684D+01  0.528477D+01  0.734765D+01
      4   0.461128D+00 -0.896460D+00  0.237359D+01  0.103084D+01  0.300204D+01
      5   0.401018D+01  0.188778D+01  0.568725D+01 -0.584878D+00 -0.749625D+00
      6  -0.581537D+01 -0.596772D+01 -0.380285D+01  0.713965D+01  0.933274D+01
               151           152           153           154           155 
      1   0.722967D+01 -0.587423D+01 -0.112585D+02  0.285841D+02  0.103328D+02
      2   0.131340D+01  0.478627D+00 -0.291625D+01 -0.166756D+02 -0.363533D+01
      3  -0.854307D+01  0.539560D+01  0.141747D+02 -0.119085D+02 -0.669747D+01
      4  -0.329118D+00  0.143111D+01  0.834774D-01  0.196328D+02  0.148376D+02
      5   0.566453D+01 -0.237997D+01 -0.279036D+01  0.287097D+02  0.129297D+02
      6  -0.530619D+01  0.815598D+01  0.599630D+01  0.125275D+02  0.101456D+02
               156           157           158           159           160 
      1   0.648338D+01  0.122423D+02  0.420338D+01  0.169964D+01  0.333931D+00
      2  -0.910815D+01 -0.444626D+01  0.339038D+00 -0.281425D+01 -0.398931D+01
      3   0.262477D+01 -0.779602D+01 -0.454241D+01  0.111461D+01  0.365538D+01
      4   0.740711D+01  0.167588D+02  0.147828D+02  0.830884D+01  0.213709D+01
      5   0.184617D+02  0.153109D+02  0.118294D+02  0.907591D+01  0.104402D+02
      6   0.618727D+01  0.106718D+02  0.100310D+02  0.932201D+01  0.373111D+01
               161           162           163           164           165 
      1  -0.915336D-01  0.137791D+01  0.173555D+01 -0.422827D+00  0.330873D+01
      2  -0.114563D+01 -0.420409D+01 -0.350788D+01  0.193073D+01 -0.436728D+01
      3   0.123716D+01  0.282618D+01  0.177233D+01 -0.150790D+01  0.105856D+01
      4   0.291403D+01  0.336230D+01 -0.185242D+01  0.556573D+01 -0.308861D+01
      5   0.425412D+01  0.760836D+01  0.768431D+01 -0.368185D+01  0.934343D+01
      6   0.569349D+01  0.288134D+01 -0.251870D+01  0.304599D+01 -0.245254D+01
               166           167           168           169           170 
      1  -0.103351D+00 -0.821238D+01  0.109312D+02  0.102707D+01  0.660046D+01
      2   0.330339D+01 -0.446683D+00  0.809432D+01 -0.484430D+01  0.548683D+01
      3  -0.320004D+01  0.865907D+01 -0.190255D+02  0.381723D+01 -0.120873D+02
      4   0.795301D+01 -0.135078D+02  0.109726D+02 -0.319977D+01  0.698746D+01
      5  -0.883396D+01  0.114721D+02 -0.161662D+02  0.952926D+01 -0.855447D+01
      6   0.681023D+01 -0.217813D+02  0.205777D+02 -0.398525D+01  0.144542D+02
               171           172           173           174           175 
      1  -0.121685D+02  0.237068D+01  0.113810D+01 -0.356633D+01  0.168654D+01
      2  -0.120119D+02 -0.321080D+01  0.569389D-01  0.304236D+01 -0.191835D+01
      3   0.241804D+02  0.840123D+00 -0.119504D+01  0.523975D+00  0.231806D+00
      4  -0.811386D+01  0.815964D+00  0.175826D+01  0.279270D+01  0.560519D+01
      5   0.156530D+02 -0.360430D+01  0.146169D+01  0.588392D+01  0.228531D+01
      6  -0.162810D+02  0.196173D+01 -0.341574D+00 -0.155216D+01 -0.165996D+01
               176           177           178           179           180 
      1  -0.201382D+01 -0.305295D+01 -0.945852D+01 -0.182370D+01 -0.669070D+01
      2   0.367680D+01  0.172791D+01  0.563772D+01  0.157698D+01 -0.495701D+01
      3  -0.166298D+01  0.132504D+01  0.382081D+01  0.246719D+00  0.116477D+02
      4  -0.843518D+01 -0.570512D+01  0.752365D+01 -0.906895D+01 -0.117604D+02
      5  -0.559807D+01 -0.101909D+02  0.123477D+02 -0.125261D+02 -0.345514D+02
      6   0.536769D+01  0.981044D+01 -0.437278D+01  0.100357D+02  0.175090D+02
               181           182           183           184           185 
      1   0.975805D+01 -0.436329D+01  0.394002D+01 -0.555061D+01 -0.297318D+01
      2  -0.215452D+01 -0.524308D+00 -0.704326D+00 -0.570112D+01  0.238028D+02
      3  -0.760354D+01  0.488760D+01 -0.323569D+01  0.112517D+02 -0.208297D+02
      4  -0.787769D+01  0.119316D+02 -0.529267D+01  0.224611D+02 -0.385193D+02
      5   0.437786D+01 -0.414632D+01  0.389942D+01 -0.624737D+01  0.122697D+02
      6  -0.307249D+01  0.139416D+01 -0.900546D+00  0.405676D+01 -0.997767D+01
               186           187           188           189           190 
      1   0.150834D+01  0.856717D+01  0.695749D+00 -0.178430D+01  0.706575D+02
      2  -0.717959D+01 -0.113639D+01 -0.861026D+01  0.329320D+01 -0.385432D+02
      3   0.567124D+01 -0.743078D+01  0.791451D+01 -0.150890D+01 -0.321143D+02
      4   0.131382D+02 -0.126928D+02  0.186755D+02 -0.120740D+02  0.807199D+01
      5  -0.119994D+02  0.800955D+01 -0.122132D+02  0.988897D+01 -0.901353D+00
      6   0.919164D+01 -0.490040D+01  0.998384D+01 -0.806521D+01 -0.153560D+01
               191           192           193           194           195 
      1   0.170490D+02  0.199461D+01  0.360615D+02  0.124730D+02  0.513678D+00
      2  -0.110310D+02 -0.892745D+00 -0.199696D+02 -0.522744D+01 -0.852670D+00
      3  -0.601796D+01 -0.110187D+01 -0.160919D+02 -0.724552D+01  0.338992D+00
      4   0.116265D+02  0.724662D-01  0.140287D+02  0.104139D+02  0.207637D+01
      5  -0.583427D+00  0.864890D+01 -0.183002D+01  0.127308D+01  0.472805D+01
      6  -0.752170D+00 -0.105118D+01 -0.799742D+00 -0.165047D+01  0.161482D+01
               196           197           198           199           200 
      1   0.649768D+01  0.433977D+00  0.596109D+01  0.248441D+02 -0.402516D+01
      2  -0.291000D+01 -0.147125D+01 -0.388250D+01 -0.128105D+02  0.267533D+00
      3  -0.358767D+01  0.103728D+01 -0.207860D+01 -0.120336D+02  0.375763D+01
      4  -0.824503D+00  0.299764D+01  0.406669D+00 -0.151821D+02  0.100122D+02
      5   0.105035D+02  0.126546D+01 -0.752922D-01  0.134246D+02 -0.249219D+01
      6  -0.238734D+00  0.198688D+01  0.832898D+00 -0.506425D+01  0.777958D+00
               201           202           203           204           205 
      1   0.106190D+02 -0.697722D+00  0.249966D+01  0.508942D+00  0.166496D+02
      2  -0.581681D+01 -0.121017D+01 -0.673971D+00 -0.883324D+00 -0.100437D+02
      3  -0.480218D+01  0.190789D+01 -0.182569D+01  0.374382D+00 -0.660585D+01
      4  -0.643923D+01  0.797315D+01 -0.328406D+01  0.332962D+01 -0.998109D+01
      5   0.114707D+02 -0.590316D+00  0.328800D+01 -0.213830D+01  0.140846D+02
      6  -0.454342D+01  0.187434D+01 -0.148438D+01  0.378505D+01 -0.661143D+01
               206           207           208           209           210 
      1   0.216383D-02  0.773871D+01 -0.147609D+01  0.498037D+01 -0.302256D+01
      2  -0.213413D+01 -0.679078D+01  0.514933D+01 -0.910727D+01  0.419017D+01
      3   0.213196D+01 -0.947930D+00 -0.367324D+01  0.412690D+01 -0.116761D+01
      4   0.715207D+01 -0.975378D+01 -0.697194D+01  0.127780D+02 -0.505204D+01
      5  -0.544338D+01  0.133254D+02  0.232060D+01 -0.404870D+01  0.439267D+01
      6   0.377770D+01 -0.612825D+01 -0.533024D+01  0.732773D+01 -0.383508D+01
               211           212           213           214           215 
      1   0.368720D+01 -0.312190D+02  0.130110D+02 -0.400840D+01  0.207465D+02
      2  -0.716540D+01  0.475797D+02 -0.169226D+02  0.577908D+01 -0.252634D+02
      3   0.347820D+01 -0.163607D+02  0.391156D+01 -0.177069D+01  0.451686D+01
      4   0.830825D+01 -0.122687D+02  0.608880D+01 -0.493000D+01  0.883161D+01
      5  -0.228097D+01  0.494417D+01 -0.267548D+01  0.375441D+01 -0.494616D+01
      6   0.566026D+01 -0.261105D+02  0.178579D+02 -0.432503D+01  0.263243D+02
               216           217           218           219           220 
      1  -0.160685D+02 -0.115456D+01 -0.504157D+01 -0.324386D+01 -0.323296D+01
      2   0.138245D+02  0.338394D+01  0.109165D+02  0.535594D+01  0.656222D+01
      3   0.224404D+01 -0.222938D+01 -0.587493D+01 -0.211208D+01 -0.332926D+01
      4  -0.491737D+01  0.795424D+01  0.862835D+01  0.535733D+01  0.597288D+01
      5   0.447396D+01  0.303070D+01  0.208736D+01  0.387060D+01  0.134819D+01
      6  -0.206484D+02  0.590032D+01  0.594802D+01  0.479924D+01  0.535058D+01
               221           222           223           224           225 
      1  -0.165956D+02 -0.690078D+01 -0.614251D+01 -0.126033D+02 -0.118943D+02
      2   0.257753D+02  0.101402D+02  0.580779D+01  0.175794D+02  0.116252D+02
      3  -0.917972D+01 -0.323947D+01  0.334724D+00 -0.497613D+01  0.269165D+00
      4   0.689721D+01  0.441854D+01  0.649941D+01  0.549501D+01  0.498157D+01
      5   0.233812D+01  0.110260D+01  0.364927D+01  0.173415D+01  0.295892D+01
      6   0.117001D+02  0.129877D+02  0.633968D+01  0.180726D+02  0.173237D+02
               226           227           228           229           230 
      1   0.104911D+02 -0.706821D+00  0.538278D+01 -0.531784D+01 -0.213411D+01
      2  -0.813106D+01  0.451903D+00 -0.387263D+01  0.368745D+01  0.309549D+01
      3  -0.236001D+01  0.254919D+00 -0.151015D+01  0.163039D+01 -0.961385D+00
      4   0.171499D+01  0.130108D+01  0.293707D+01  0.215597D+01  0.357421D+01
      5   0.637629D+01  0.157527D+01  0.126969D+02  0.558108D+00  0.337783D+01
      6   0.249112D+01  0.596741D+00  0.377723D+01  0.128628D+01  0.706120D+00
               231           232           233           234           235 
      1  -0.265609D+00  0.136724D+02  0.146080D+01  0.579120D+01  0.703245D+02
      2   0.110342D+01 -0.831597D+01  0.128368D+01 -0.117398D+02 -0.408354D+02
      3  -0.837815D+00 -0.535647D+01 -0.274448D+01  0.594859D+01 -0.294891D+02
      4   0.392420D+01  0.913262D+01  0.934120D+01  0.592905D+01  0.704060D+01
      5  -0.589598D-01  0.183301D+02  0.414585D+01  0.387574D+02 -0.272736D+02
      6   0.398877D+01  0.624829D+01  0.510655D+01  0.173176D+02 -0.449025D+01
               236           237           238           239           240 
      1  -0.693529D+01 -0.198000D+02 -0.229239D+02  0.534158D+01  0.616433D+01
      2   0.598474D+01  0.134038D+02  0.141900D+02 -0.179309D+01 -0.548722D+01
      3   0.950552D+00  0.639613D+01  0.873391D+01 -0.354849D+01 -0.677109D+00
      4   0.895159D+01 -0.155139D+01  0.647753D+01 -0.285999D+01 -0.411055D+01
      5   0.235725D+01  0.183777D+02  0.842961D+01 -0.517198D+01 -0.650180D+01
      6  -0.807412D+00  0.406038D+01 -0.611479D+00 -0.317635D+00  0.720056D+00
               241           242           243           244           245 
      1  -0.268282D+02  0.240870D+01  0.137439D+02  0.166886D+01  0.578165D+01
      2   0.182848D+02 -0.379182D+01 -0.126949D+02  0.116277D+01 -0.465269D+01
      3   0.854345D+01  0.138311D+01 -0.104904D+01 -0.283162D+01 -0.112896D+01
      4  -0.399460D+01 -0.692066D+01  0.110930D+01  0.236645D+01  0.448961D+01
      5   0.235042D+02 -0.176995D+01 -0.140658D+02 -0.266411D+01 -0.595000D+00
      6   0.418818D+01  0.227318D+01 -0.153761D+01 -0.211287D+01  0.525136D+00
               246           247           248           249           250 
      1  -0.325494D+01  0.525543D+01 -0.217543D+02  0.493445D+01 -0.490292D+01
      2   0.184810D+01  0.351764D+01  0.463555D+02 -0.714873D+01  0.178320D+01
      3   0.140685D+01 -0.877307D+01 -0.246012D+02  0.221428D+01  0.311973D+01
      4  -0.120392D+01  0.171757D+02  0.495835D+02 -0.863397D+01 -0.456077D+01
      5   0.205782D+01 -0.229326D+01 -0.908773D+01  0.776571D+01  0.552648D+01
      6  -0.481127D+00 -0.279342D+01 -0.135566D+02  0.966378D+01  0.259188D+01
               251           252 
      1   0.528518D+01 -0.235980D+01
      2  -0.773657D+01  0.333005D+01
      3   0.245139D+01 -0.970251D+00
      4  -0.107269D+02  0.688144D+01
      5   0.702687D+01 -0.238873D+01
      6   0.105604D+02 -0.465156D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:50:57 2021, MaxMem=  5637144576 cpu:           46973.1 elap:            5885.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17465 -10.16823 -10.16748 -10.16620 -10.16142
 Alpha  occ. eigenvalues --  -10.16120 -10.15886 -10.15486 -10.15442 -10.15348
 Alpha  occ. eigenvalues --   -0.87690  -0.78460  -0.74951  -0.73234  -0.68177
 Alpha  occ. eigenvalues --   -0.66387  -0.61833  -0.58785  -0.56590  -0.49439
 Alpha  occ. eigenvalues --   -0.48814  -0.47567  -0.45001  -0.43008  -0.42257
 Alpha  occ. eigenvalues --   -0.41069  -0.39923  -0.38798  -0.38287  -0.36927
 Alpha  occ. eigenvalues --   -0.36821  -0.35355  -0.35005  -0.33795  -0.32986
 Alpha  occ. eigenvalues --   -0.30628  -0.28904  -0.28468  -0.27115
 Alpha virt. eigenvalues --   -0.00013   0.01435   0.02108   0.02258   0.04198
 Alpha virt. eigenvalues --    0.04455   0.04623   0.04750   0.05313   0.06903
 Alpha virt. eigenvalues --    0.07566   0.08182   0.09065   0.09232   0.09747
 Alpha virt. eigenvalues --    0.10148   0.11126   0.11452   0.12782   0.13027
 Alpha virt. eigenvalues --    0.13544   0.13800   0.14137   0.14846   0.15491
 Alpha virt. eigenvalues --    0.16047   0.16963   0.17160   0.17902   0.18551
 Alpha virt. eigenvalues --    0.18811   0.19020   0.19531   0.20066   0.20261
 Alpha virt. eigenvalues --    0.20786   0.21229   0.21533   0.21644   0.22089
 Alpha virt. eigenvalues --    0.22463   0.22732   0.23293   0.24082   0.24448
 Alpha virt. eigenvalues --    0.24921   0.25165   0.25976   0.26375   0.26833
 Alpha virt. eigenvalues --    0.27080   0.27647   0.27719   0.27914   0.28720
 Alpha virt. eigenvalues --    0.28985   0.29186   0.29683   0.29987   0.30315
 Alpha virt. eigenvalues --    0.30624   0.30981   0.31630   0.31784   0.31846
 Alpha virt. eigenvalues --    0.32055   0.32497   0.32893   0.33659   0.33786
 Alpha virt. eigenvalues --    0.34233   0.34287   0.34762   0.35298   0.35520
 Alpha virt. eigenvalues --    0.36159   0.36512   0.37110   0.37883   0.38163
 Alpha virt. eigenvalues --    0.38643   0.39332   0.39460   0.40245   0.40431
 Alpha virt. eigenvalues --    0.40784   0.41076   0.41414   0.42353   0.42482
 Alpha virt. eigenvalues --    0.43100   0.43404   0.44027   0.44166   0.44348
 Alpha virt. eigenvalues --    0.45135   0.45544   0.45563   0.45899   0.46005
 Alpha virt. eigenvalues --    0.46140   0.46625   0.47004   0.48026   0.48327
 Alpha virt. eigenvalues --    0.48994   0.49225   0.49777   0.50133   0.50777
 Alpha virt. eigenvalues --    0.51453   0.52030   0.52963   0.53417   0.53617
 Alpha virt. eigenvalues --    0.54527   0.54686   0.54953   0.55860   0.56600
 Alpha virt. eigenvalues --    0.56942   0.57336   0.57950   0.58319   0.59079
 Alpha virt. eigenvalues --    0.59299   0.59561   0.60492   0.60634   0.61043
 Alpha virt. eigenvalues --    0.61278   0.62112   0.63356   0.63460   0.64183
 Alpha virt. eigenvalues --    0.64604   0.64801   0.65282   0.65625   0.65849
 Alpha virt. eigenvalues --    0.66234   0.67184   0.67245   0.67743   0.68157
 Alpha virt. eigenvalues --    0.68294   0.68404   0.69167   0.69833   0.69942
 Alpha virt. eigenvalues --    0.70336   0.70884   0.71156   0.71388   0.71998
 Alpha virt. eigenvalues --    0.72548   0.72989   0.73562   0.73830   0.74324
 Alpha virt. eigenvalues --    0.74650   0.75509   0.75964   0.76378   0.77380
 Alpha virt. eigenvalues --    0.77800   0.78442   0.79010   0.79576   0.79885
 Alpha virt. eigenvalues --    0.80912   0.81305   0.81517   0.81794   0.82726
 Alpha virt. eigenvalues --    0.82866   0.84191   0.84396   0.85576   0.85962
 Alpha virt. eigenvalues --    0.86301   0.87031   0.88277   0.89380   0.90012
 Alpha virt. eigenvalues --    0.90898   0.91614   0.92136   0.93655   0.94119
 Alpha virt. eigenvalues --    0.95688   0.96638   0.97480   0.98394   0.99068
 Alpha virt. eigenvalues --    1.00883   1.01617   1.02206   1.03400   1.06396
 Alpha virt. eigenvalues --    1.07222   1.09557   1.09939   1.09959   1.11547
 Alpha virt. eigenvalues --    1.14817   1.15286   1.15882   1.17442   1.18867
 Alpha virt. eigenvalues --    1.21209   1.22315   1.24022   1.24978   1.26003
 Alpha virt. eigenvalues --    1.26464   1.26989   1.29909   1.31159   1.31638
 Alpha virt. eigenvalues --    1.32605   1.34323   1.36126   1.37700   1.37827
 Alpha virt. eigenvalues --    1.38363   1.39581   1.40886   1.42487   1.43154
 Alpha virt. eigenvalues --    1.44436   1.45091   1.45354   1.47446   1.48367
 Alpha virt. eigenvalues --    1.48853   1.49965   1.50943   1.52698   1.53839
 Alpha virt. eigenvalues --    1.56325   1.56526   1.56881   1.57954   1.61257
 Alpha virt. eigenvalues --    1.62189   1.64647   1.65181   1.66919   1.68986
 Alpha virt. eigenvalues --    1.71046   1.73691   1.76216   1.81277   1.83451
 Alpha virt. eigenvalues --    1.85075   1.85851   1.86490   1.87187   1.88158
 Alpha virt. eigenvalues --    1.88669   1.89184   1.90148   1.90566   1.91494
 Alpha virt. eigenvalues --    1.92330   1.94443   1.95143   1.96301   1.97853
 Alpha virt. eigenvalues --    1.98306   1.98878   1.99912   2.00197   2.01572
 Alpha virt. eigenvalues --    2.02114   2.02790   2.04458   2.05969   2.06256
 Alpha virt. eigenvalues --    2.07662   2.09746   2.10276   2.13042   2.14245
 Alpha virt. eigenvalues --    2.15156   2.18375   2.19042   2.20162   2.22698
 Alpha virt. eigenvalues --    2.23453   2.25466   2.26013   2.26574   2.28931
 Alpha virt. eigenvalues --    2.29172   2.31309   2.31902   2.35308   2.36714
 Alpha virt. eigenvalues --    2.38813   2.40460   2.41137   2.43034   2.43752
 Alpha virt. eigenvalues --    2.45880   2.47462   2.47520   2.49641   2.51343
 Alpha virt. eigenvalues --    2.52431   2.53691   2.54603   2.55292   2.58886
 Alpha virt. eigenvalues --    2.60139   2.61763   2.62021   2.62903   2.63324
 Alpha virt. eigenvalues --    2.64291   2.65384   2.66867   2.69018   2.69184
 Alpha virt. eigenvalues --    2.69870   2.71062   2.73235   2.73290   2.74621
 Alpha virt. eigenvalues --    2.75765   2.76512   2.78016   2.79052   2.79446
 Alpha virt. eigenvalues --    2.80998   2.82543   2.83154   2.83937   2.85365
 Alpha virt. eigenvalues --    2.86526   2.87118   2.87607   2.89550   2.89840
 Alpha virt. eigenvalues --    2.91055   2.93924   2.94733   2.94806   2.96682
 Alpha virt. eigenvalues --    2.97265   2.98117   2.99634   3.01243   3.01952
 Alpha virt. eigenvalues --    3.04299   3.04923   3.06987   3.09086   3.10210
 Alpha virt. eigenvalues --    3.13181   3.13945   3.16389   3.17053   3.18594
 Alpha virt. eigenvalues --    3.19349   3.20218   3.21775   3.25287   3.26072
 Alpha virt. eigenvalues --    3.26435   3.27704   3.28644   3.30154   3.30946
 Alpha virt. eigenvalues --    3.32560   3.34236   3.35305   3.37674   3.38038
 Alpha virt. eigenvalues --    3.38461   3.40115   3.41473   3.42003   3.43325
 Alpha virt. eigenvalues --    3.44895   3.45200   3.45918   3.48124   3.49026
 Alpha virt. eigenvalues --    3.50547   3.50710   3.53169   3.53838   3.55081
 Alpha virt. eigenvalues --    3.57006   3.57516   3.59074   3.60891   3.62759
 Alpha virt. eigenvalues --    3.63789   3.64503   3.65740   3.66504   3.68587
 Alpha virt. eigenvalues --    3.69097   3.69869   3.72752   3.73283   3.74436
 Alpha virt. eigenvalues --    3.76564   3.77622   3.78966   3.80465   3.84177
 Alpha virt. eigenvalues --    3.85824   3.87187   3.88307   3.89446   3.89664
 Alpha virt. eigenvalues --    3.92524   3.94890   3.96601   3.97642   3.99744
 Alpha virt. eigenvalues --    4.01444   4.03915   4.06033   4.07036   4.08006
 Alpha virt. eigenvalues --    4.11265   4.15081   4.18057   4.19492   4.20490
 Alpha virt. eigenvalues --    4.23366   4.23833   4.26819   4.27514   4.28585
 Alpha virt. eigenvalues --    4.30021   4.30966   4.33634   4.34166   4.36759
 Alpha virt. eigenvalues --    4.37747   4.40226   4.41919   4.43832   4.45883
 Alpha virt. eigenvalues --    4.48234   4.48861   4.50989   4.53895   4.54969
 Alpha virt. eigenvalues --    4.57491   4.58354   4.60658   4.62411   4.63233
 Alpha virt. eigenvalues --    4.66002   4.69818   4.71383   4.73766   4.76256
 Alpha virt. eigenvalues --    4.79349   4.83191   4.86069   4.91373   4.92553
 Alpha virt. eigenvalues --    4.99312   5.02314   5.05049   5.08180   5.14080
 Alpha virt. eigenvalues --    5.16966   5.20718   5.22734   5.23853   5.31871
 Alpha virt. eigenvalues --    5.36205   5.44719  22.64021  22.65934  22.70843
 Alpha virt. eigenvalues --   22.75542  22.82134  22.87696  22.95350  23.07917
 Alpha virt. eigenvalues --   23.10667  23.23031
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.416392  -0.823346  -0.647446   0.131975   0.351193   0.059265
     2  C   -0.823346   7.589583   0.457662   0.131344  -0.247022  -1.404241
     3  C   -0.647446   0.457662   7.145326  -0.415543  -0.259989  -0.029853
     4  C    0.131975   0.131344  -0.415543   6.783732  -0.286674  -0.199480
     5  C    0.351193  -0.247022  -0.259989  -0.286674   6.941674  -0.636836
     6  C    0.059265  -1.404241  -0.029853  -0.199480  -0.636836   8.333504
     7  C   -0.092874  -0.120055   0.049328  -0.274489  -0.280734   0.084872
     8  H    0.305497   0.026100  -0.043119   0.001780  -0.027292  -0.006258
     9  C    0.055447  -0.627069  -0.008366  -0.026345  -0.053282   0.181340
    10  H   -0.208467   0.490966   0.029226  -0.007038  -0.042739  -0.134657
    11  H    0.042644   0.003430  -0.201339   0.227941   0.054511   0.065647
    12  C   -0.073264   0.055062  -0.006122   0.036489  -0.942956   0.055235
    13  C    0.010420  -0.022946  -0.025597  -0.101912  -0.502746  -0.089872
    14  H    0.064837  -0.001207  -0.006286   0.083046   0.065770  -0.059990
    15  H    0.020607   0.024069  -0.002397  -0.049947   0.051789  -0.091000
    16  H    0.009841   0.001151  -0.027914   0.079365   0.014473   0.003369
    17  H   -0.011244  -0.002782   0.016913  -0.028387  -0.118736   0.011640
    18  H    0.004073   0.008928  -0.026599  -0.026228   0.047353  -0.011762
    19  H    0.004788  -0.020066   0.002971   0.009286   0.025500  -0.034551
    20  H    0.000640  -0.020914  -0.008814  -0.049669  -0.010521  -0.064449
    21  H    0.000196   0.013492  -0.000465   0.029008  -0.020502  -0.002150
    22  H   -0.001228   0.000999   0.010048  -0.005603   0.004335   0.034347
    23  H    0.471880  -0.123009  -0.093813   0.038275   0.011041   0.021274
    24  H   -0.033963   0.020889   0.334475  -0.041039  -0.018422   0.002076
    25  H   -0.063196   0.000559   0.370825  -0.007687  -0.021340   0.003648
    26  H    0.008096  -0.023523   0.003588   0.004154   0.001424  -0.021751
    27  H   -0.031987  -0.025417   0.004860  -0.005631  -0.004865   0.020403
    28  H    0.009270  -0.054432  -0.000746   0.001513   0.004405   0.004338
               7          8          9         10         11         12
     1  C   -0.092874   0.305497   0.055447  -0.208467   0.042644  -0.073264
     2  C   -0.120055   0.026100  -0.627069   0.490966   0.003430   0.055062
     3  C    0.049328  -0.043119  -0.008366   0.029226  -0.201339  -0.006122
     4  C   -0.274489   0.001780  -0.026345  -0.007038   0.227941   0.036489
     5  C   -0.280734  -0.027292  -0.053282  -0.042739   0.054511  -0.942956
     6  C    0.084872  -0.006258   0.181340  -0.134657   0.065647   0.055235
     7  C    7.407887   0.013941   0.119059  -0.011422  -0.150730   0.026130
     8  H    0.013941   0.649871   0.013806  -0.020436   0.000407   0.009873
     9  C    0.119059   0.013806   7.216080  -0.128211  -0.003325   0.005678
    10  H   -0.011422  -0.020436  -0.128211   0.710870   0.002052   0.018336
    11  H   -0.150730   0.000407  -0.003325   0.002052   0.812613  -0.005462
    12  C    0.026130   0.009873   0.005678   0.018336  -0.005462   8.053580
    13  C   -0.069405  -0.000241  -0.000311  -0.003618  -0.045311  -0.211345
    14  H   -0.248132  -0.000510  -0.113408   0.001272   0.016540   0.001305
    15  H    0.327036  -0.000903  -0.003311   0.000132  -0.012193   0.001865
    16  H    0.183671  -0.006049  -0.007326   0.000369  -0.001318  -0.009993
    17  H    0.011452  -0.002982   0.007051   0.006112  -0.008186   0.302999
    18  H   -0.003527  -0.000923  -0.000771   0.002542   0.017960   0.323284
    19  H    0.003466  -0.000361  -0.000525  -0.005055  -0.001451   0.339992
    20  H   -0.026462  -0.000065   0.000121  -0.001258   0.002708  -0.007226
    21  H    0.010659   0.000086  -0.000479   0.000066  -0.004304  -0.012364
    22  H    0.014560  -0.000144   0.000312   0.000990  -0.010408  -0.030775
    23  H   -0.001009  -0.086428  -0.024270   0.000518   0.005188   0.005789
    24  H    0.014191   0.019742  -0.001825   0.001927  -0.009025   0.006421
    25  H    0.002418  -0.044494  -0.001253   0.006350  -0.009406   0.014165
    26  H   -0.009098   0.003188   0.364917  -0.000804   0.000123   0.000605
    27  H    0.009963   0.004335   0.350176  -0.014544  -0.000069   0.000185
    28  H   -0.000125  -0.000763   0.382721  -0.012400   0.000071  -0.002221
              13         14         15         16         17         18
     1  C    0.010420   0.064837   0.020607   0.009841  -0.011244   0.004073
     2  C   -0.022946  -0.001207   0.024069   0.001151  -0.002782   0.008928
     3  C   -0.025597  -0.006286  -0.002397  -0.027914   0.016913  -0.026599
     4  C   -0.101912   0.083046  -0.049947   0.079365  -0.028387  -0.026228
     5  C   -0.502746   0.065770   0.051789   0.014473  -0.118736   0.047353
     6  C   -0.089872  -0.059990  -0.091000   0.003369   0.011640  -0.011762
     7  C   -0.069405  -0.248132   0.327036   0.183671   0.011452  -0.003527
     8  H   -0.000241  -0.000510  -0.000903  -0.006049  -0.002982  -0.000923
     9  C   -0.000311  -0.113408  -0.003311  -0.007326   0.007051  -0.000771
    10  H   -0.003618   0.001272   0.000132   0.000369   0.006112   0.002542
    11  H   -0.045311   0.016540  -0.012193  -0.001318  -0.008186   0.017960
    12  C   -0.211345   0.001305   0.001865  -0.009993   0.302999   0.323284
    13  C    7.485712  -0.015859   0.023351   0.010258  -0.001979  -0.012062
    14  H   -0.015859   0.949508   0.017797  -0.006455  -0.008708   0.000391
    15  H    0.023351   0.017797   0.485938  -0.009689  -0.000533   0.000800
    16  H    0.010258  -0.006455  -0.009689   0.494481  -0.000025   0.000620
    17  H   -0.001979  -0.008708  -0.000533  -0.000025   0.490403  -0.050474
    18  H   -0.012062   0.000391   0.000800   0.000620  -0.050474   0.391920
    19  H   -0.001831   0.012184   0.000612   0.000424  -0.035573   0.022845
    20  H    0.445350  -0.004777   0.009044  -0.007037  -0.002445   0.000808
    21  H    0.310219  -0.003077   0.003039   0.002040   0.000379  -0.007644
    22  H    0.301932  -0.007628   0.001643   0.002463   0.000981   0.001428
    23  H   -0.000070   0.004159  -0.000482  -0.003111  -0.004950   0.001018
    24  H    0.001414  -0.000984  -0.004375  -0.005567  -0.003039   0.000679
    25  H   -0.002093   0.000343  -0.000836  -0.002807  -0.004680   0.001851
    26  H    0.000124   0.007564  -0.000084   0.003636  -0.000182   0.000041
    27  H    0.000151  -0.003656   0.000416  -0.001978   0.000516  -0.000068
    28  H    0.000579  -0.014608  -0.000110   0.000580   0.000014  -0.000083
              19         20         21         22         23         24
     1  C    0.004788   0.000640   0.000196  -0.001228   0.471880  -0.033963
     2  C   -0.020066  -0.020914   0.013492   0.000999  -0.123009   0.020889
     3  C    0.002971  -0.008814  -0.000465   0.010048  -0.093813   0.334475
     4  C    0.009286  -0.049669   0.029008  -0.005603   0.038275  -0.041039
     5  C    0.025500  -0.010521  -0.020502   0.004335   0.011041  -0.018422
     6  C   -0.034551  -0.064449  -0.002150   0.034347   0.021274   0.002076
     7  C    0.003466  -0.026462   0.010659   0.014560  -0.001009   0.014191
     8  H   -0.000361  -0.000065   0.000086  -0.000144  -0.086428   0.019742
     9  C   -0.000525   0.000121  -0.000479   0.000312  -0.024270  -0.001825
    10  H   -0.005055  -0.001258   0.000066   0.000990   0.000518   0.001927
    11  H   -0.001451   0.002708  -0.004304  -0.010408   0.005188  -0.009025
    12  C    0.339992  -0.007226  -0.012364  -0.030775   0.005789   0.006421
    13  C   -0.001831   0.445350   0.310219   0.301932  -0.000070   0.001414
    14  H    0.012184  -0.004777  -0.003077  -0.007628   0.004159  -0.000984
    15  H    0.000612   0.009044   0.003039   0.001643  -0.000482  -0.004375
    16  H    0.000424  -0.007037   0.002040   0.002463  -0.003111  -0.005567
    17  H   -0.035573  -0.002445   0.000379   0.000981  -0.004950  -0.003039
    18  H    0.022845   0.000808  -0.007644   0.001428   0.001018   0.000679
    19  H    0.374498   0.000536   0.003706  -0.006868   0.000768   0.000388
    20  H    0.000536   0.502865  -0.028373  -0.025888   0.000231   0.000571
    21  H    0.003706  -0.028373   0.360989   0.019058  -0.000026   0.000090
    22  H   -0.006868  -0.025888   0.019058   0.367773  -0.000134  -0.000477
    23  H    0.000768   0.000231  -0.000026  -0.000134   0.572739  -0.028923
    24  H    0.000388   0.000571   0.000090  -0.000477  -0.028923   0.490072
    25  H    0.000438   0.000241   0.000582  -0.000587   0.015362  -0.024350
    26  H    0.000093  -0.000017  -0.000004  -0.000031  -0.002996  -0.000212
    27  H   -0.000007  -0.000059   0.000020  -0.000001  -0.009571   0.000600
    28  H   -0.000303   0.000028   0.000021  -0.000007   0.000100  -0.000268
              25         26         27         28
     1  C   -0.063196   0.008096  -0.031987   0.009270
     2  C    0.000559  -0.023523  -0.025417  -0.054432
     3  C    0.370825   0.003588   0.004860  -0.000746
     4  C   -0.007687   0.004154  -0.005631   0.001513
     5  C   -0.021340   0.001424  -0.004865   0.004405
     6  C    0.003648  -0.021751   0.020403   0.004338
     7  C    0.002418  -0.009098   0.009963  -0.000125
     8  H   -0.044494   0.003188   0.004335  -0.000763
     9  C   -0.001253   0.364917   0.350176   0.382721
    10  H    0.006350  -0.000804  -0.014544  -0.012400
    11  H   -0.009406   0.000123  -0.000069   0.000071
    12  C    0.014165   0.000605   0.000185  -0.002221
    13  C   -0.002093   0.000124   0.000151   0.000579
    14  H    0.000343   0.007564  -0.003656  -0.014608
    15  H   -0.000836  -0.000084   0.000416  -0.000110
    16  H   -0.002807   0.003636  -0.001978   0.000580
    17  H   -0.004680  -0.000182   0.000516   0.000014
    18  H    0.001851   0.000041  -0.000068  -0.000083
    19  H    0.000438   0.000093  -0.000007  -0.000303
    20  H    0.000241  -0.000017  -0.000059   0.000028
    21  H    0.000582  -0.000004   0.000020   0.000021
    22  H   -0.000587  -0.000031  -0.000001  -0.000007
    23  H    0.015362  -0.002996  -0.009571   0.000100
    24  H   -0.024350  -0.000212   0.000600  -0.000268
    25  H    0.505302  -0.000219   0.000199  -0.000231
    26  H   -0.000219   0.326036   0.019147   0.011596
    27  H    0.000199   0.019147   0.320827   0.005725
    28  H   -0.000231   0.011596   0.005725   0.327924
 Mulliken charges:
               1
     1  C   -0.980044
     2  C    0.691797
     3  C   -0.620816
     4  C   -0.032237
     5  C    1.901190
     6  C   -0.094111
     7  C   -0.990572
     8  H    0.192344
     9  C   -1.696631
    10  H    0.318919
    11  H    0.210690
    12  C   -1.955265
    13  C   -1.482310
    14  H    0.270566
    15  H    0.207723
    16  H    0.282526
    17  H    0.436449
    18  H    0.313597
    19  H    0.304094
    20  H    0.294831
    21  H    0.325739
    22  H    0.328909
    23  H    0.230449
    24  H    0.278936
    25  H    0.260895
    26  H    0.304589
    27  H    0.360330
    28  H    0.337410
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.557251
     2  C    1.010717
     3  C   -0.080985
     4  C    0.178453
     5  C    1.901190
     6  C    0.176455
     7  C   -0.500323
     9  C   -0.694302
    12  C   -0.901124
    13  C   -0.532831
 Electronic spatial extent (au):  <R**2>=           1435.1121
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0029    Y=              0.0886    Z=              0.0992  Tot=              0.1330
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.8556   YY=            -66.2247   ZZ=            -65.9739
   XY=             -0.2724   XZ=             -0.2356   YZ=             -0.1611
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5042   YY=              0.1267   ZZ=              0.3775
   XY=             -0.2724   XZ=             -0.2356   YZ=             -0.1611
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.9715  YYY=             -1.1305  ZZZ=             -0.7649  XYY=              1.0788
  XXY=              3.5980  XXZ=             -0.0834  XZZ=             -1.4105  YZZ=              0.0505
  YYZ=              0.9755  XYZ=              0.2390
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1096.8471 YYYY=           -535.9205 ZZZZ=           -445.7441 XXXY=              2.3513
 XXXZ=             -0.8279 YYYX=             -0.5056 YYYZ=             -4.2676 ZZZX=             -5.3801
 ZZZY=              0.6956 XXYY=           -273.6688 XXZZ=           -250.5750 YYZZ=           -159.0619
 XXYZ=             -0.5963 YYXZ=              0.4981 ZZXY=             -4.3100
 N-N= 5.951190851388D+02 E-N=-2.097656575544D+03  KE= 3.898414458674D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:50:57 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3143   -0.3160        0.0182    0.0210
 2      0.3143    0.3160        0.0472    0.0435       -7.0815   -7.0824
 3     -0.0182   -0.0210        9.3339    9.3312       -0.0453   -0.0435
 4     -0.0472   -0.0435        0.0000    0.0000       -0.0148   -0.0210
 5     -2.2523   -2.2488        0.0148    0.0210       -0.3172   -0.3160
 6      0.0453    0.0435        0.3172    0.3160        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9480    0.9480        0.0630    0.0630
 2     -0.1304   -0.1304       -0.0000    0.0000        0.0630    0.0630
 3     -0.1304   -0.1304        0.9480    0.9480        0.0000    0.0000
 4      0.9480    0.9480        0.1304    0.1304      -21.2473  -21.2473
 5     -0.0630   -0.0630       27.9937   27.9937       -0.1304   -0.1304
 6     -6.7464   -6.7464        0.0630    0.0630       -0.9480   -0.9480
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0665    0.0000        1.1010    1.2640       -0.1037   -0.0840
 2     -1.0302   -1.2640       -0.2106   -0.1739       28.4540   28.3297
 3      0.0232    0.0840      -37.2474  -37.3249        0.1729    0.1739
 4      0.1419    0.1739        0.0767    0.0000        0.0572    0.0840
 5      9.0684    8.9952       -0.0953   -0.0840        1.2437    1.2640
 6     -0.1793   -0.1739       -1.2299   -1.2640       -0.0144    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0487    0.0000        7.1670    7.0589       -4.3655   -4.2942
 2     -6.8862   -7.0589        9.8356    9.8585        7.4201    7.4391
 3      4.1000    4.2942       -8.8295   -8.8090       -9.9087   -9.8585
 4     -9.8059   -9.8585        0.0096    0.0000        4.2810    4.2942
 5      1.4372    1.3699       -4.4044   -4.2942        7.0130    7.0589
 6      9.7854    9.8585       -7.1280   -7.0589       -0.0088    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.1926  -18.0969       26.7225   26.8727       14.2678   14.3453
 2    -27.9506  -27.9930       34.1879   34.2814       14.1409   14.3453
 3    -27.9086  -27.9930       26.7910   26.8727       15.5380   15.5611
 4     -7.2880   -7.4088        9.8845    9.8961       -6.3274   -6.2954
 5      1.0253    1.2158       -0.5456   -0.5425      -10.1176   -9.8961
 6      7.0443    6.8380       -1.0608   -1.2158        7.4530    7.4088
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3364                 0.5945                 0.1538
  Dep-P Fr= 1--      0.6267                 0.7403                 0.7462
  Dep-U Fr= 1--      0.7705                 0.8508                 0.8547
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0432                 0.0843                 0.0219
 AlphaG Fr= 1--     -0.0018                 0.0008                 0.0001
 Gamma2 Fr= 1--     -0.1355                 0.0642                -0.0805
 Delta2 Fr= 1--      0.0661                -0.0630                -0.0299
 Raman1 Fr= 1--       1.345                  2.378                  0.615
 ROA1   Fr= 1--     -10.897                  4.142                 -8.687
 CID1   Fr= 1--      -8.100                  1.742                -14.120
 Raman2 Fr= 1--       0.518                  1.012                  0.263
 ROA2   Fr= 1--      -3.782                  2.044                 -1.693
 CID2   Fr= 1--      -7.296                  2.021                 -6.438
 Raman3 Fr= 1--       1.037                  2.023                  0.526
 ROA3   Fr= 1--     -10.897                  4.142                 -8.687
 CID3   Fr= 1--     -10.512                  2.048                -16.521
 RC180  Fr= 1--       0.541                  0.702                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3482                 0.3821                 0.0812
  Dep-P Fr= 1--      0.7387                 0.6484                 0.3118
  Dep-U Fr= 1--      0.8497                 0.7867                 0.4754
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0008
 Beta2  Fr= 1--      0.0493                 0.0501                 0.0064
 AlphaG Fr= 1--      0.0008                 0.0063                 0.0005
 Gamma2 Fr= 1--     -0.0321                -0.0825                -0.0194
 Delta2 Fr= 1--      0.0053                -0.1128                 0.0127
 Raman1 Fr= 1--       1.393                  1.528                  0.325
 ROA1   Fr= 1--      -2.916                -11.534                 -1.455
 CID1   Fr= 1--      -2.094                 -7.547                 -4.482
 Raman2 Fr= 1--       0.592                  0.601                  0.077
 ROA2   Fr= 1--      -0.813                 -1.078                 -0.567
 CID2   Fr= 1--      -1.374                 -1.794                 -7.350
 Raman3 Fr= 1--       1.184                  1.202                  0.154
 ROA3   Fr= 1--      -2.916                -11.534                 -1.455
 CID3   Fr= 1--      -2.464                 -9.594                 -9.428
 RC180  Fr= 1--       0.699                  0.573                 -0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      1.0624                 0.3477                 1.3398
  Dep-P Fr= 1--      0.2942                 0.1558                 0.5107
  Dep-U Fr= 1--      0.4547                 0.2696                 0.6761
 Alpha2 Fr= 1--      0.0111                 0.0053                 0.0063
 Beta2  Fr= 1--      0.0805                 0.0156                 0.1510
 AlphaG Fr= 1--     -0.0198                 0.0181                 0.0010
 Gamma2 Fr= 1--     -0.0943                -0.0855                 0.1247
 Delta2 Fr= 1--      0.0785                -0.1155                 0.0424
 Raman1 Fr= 1--       4.249                  1.391                  5.359
 ROA1   Fr= 1--      -6.547                -11.900                 13.328
 CID1   Fr= 1--      -1.541                 -8.558                  2.487
 Raman2 Fr= 1--       0.966                  0.187                  1.812
 ROA2   Fr= 1--      -2.892                 -1.127                  2.654
 CID2   Fr= 1--      -2.994                 -6.010                  1.465
 Raman3 Fr= 1--       1.932                  0.375                  3.623
 ROA3   Fr= 1--      -6.547                -11.900                 13.328
 CID3   Fr= 1--      -3.388                -31.739                  3.678
 RC180  Fr= 1--      -0.091                 -0.461                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      2.0602                 0.1151                 1.2473
  Dep-P Fr= 1--      0.1698                 0.6266                 0.7399
  Dep-U Fr= 1--      0.2903                 0.7705                 0.8505
 Alpha2 Fr= 1--      0.0303                 0.0003                 0.0002
 Beta2  Fr= 1--      0.0997                 0.0148                 0.1768
 AlphaG Fr= 1--      0.0037                 0.0002                -0.0014
 Gamma2 Fr= 1--      0.2285                 0.0350                -0.0854
 Delta2 Fr= 1--      0.1101                 0.0079                -0.0621
 Raman1 Fr= 1--       8.241                  0.461                  4.989
 ROA1   Fr= 1--      25.462                  3.613                -10.185
 CID1   Fr= 1--       3.090                  7.844                 -2.041
 Raman2 Fr= 1--       1.196                  0.177                  2.122
 ROA2   Fr= 1--       4.604                  0.776                 -1.552
 CID2   Fr= 1--       3.849                  4.375                 -0.732
 Raman3 Fr= 1--       2.393                  0.355                  4.243
 ROA3   Fr= 1--      25.462                  3.613                -10.185
 CID3   Fr= 1--      10.642                 10.181                 -2.400
 RC180  Fr= 1--      -0.419                  0.541                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      3.8581                 1.4735                 1.6905
  Dep-P Fr= 1--      0.1470                 0.1453                 0.6690
  Dep-U Fr= 1--      0.2564                 0.2537                 0.8017
 Alpha2 Fr= 1--      0.0601                 0.0231                 0.0024
 Beta2  Fr= 1--      0.1648                 0.0623                 0.2259
 AlphaG Fr= 1--      0.0308                 0.0028                 0.0009
 Gamma2 Fr= 1--      0.2481                -0.2088                 0.1539
 Delta2 Fr= 1--      0.1590                -0.1418                 0.1454
 Raman1 Fr= 1--      15.432                  5.894                  6.762
 ROA1   Fr= 1--      28.908                -24.584                 19.430
 CID1   Fr= 1--       1.873                 -4.171                  2.873
 Raman2 Fr= 1--       1.978                  0.748                  2.710
 ROA2   Fr= 1--       4.684                 -3.878                  2.531
 CID2   Fr= 1--       2.368                 -5.187                  0.934
 Raman3 Fr= 1--       3.956                  1.495                  5.421
 ROA3   Fr= 1--      28.908                -24.584                 19.430
 CID3   Fr= 1--       7.307                -16.441                  3.584
 RC180  Fr= 1--      -0.487                 -0.493                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     15.7693                 5.8231                 6.9492
  Dep-P Fr= 1--      0.0087                 0.1139                 0.1273
  Dep-U Fr= 1--      0.0173                 0.2046                 0.2258
 Alpha2 Fr= 1--      0.3434                 0.0985                 0.1137
 Beta2  Fr= 1--      0.0455                 0.1985                 0.2615
 AlphaG Fr= 1--     -0.0021                 0.0035                -0.1894
 Gamma2 Fr= 1--      0.1820                 0.0101                -2.3882
 Delta2 Fr= 1--      0.0747                 0.1176                -1.7371
 Raman1 Fr= 1--      63.077                 23.292                 27.797
 ROA1   Fr= 1--      19.859                  4.733               -284.854
 CID1   Fr= 1--       0.315                  0.203                -10.248
 Raman2 Fr= 1--       0.546                  2.382                  3.138
 ROA2   Fr= 1--       3.770                 -0.699                -43.419
 CID2   Fr= 1--       6.911                 -0.293                -13.835
 Raman3 Fr= 1--       1.091                  4.765                  6.277
 ROA3   Fr= 1--      19.859                  4.733               -284.854
 CID3   Fr= 1--      18.201                  0.993                -45.383
 RC180  Fr= 1--      -0.965                 -0.591                 -0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.4802                 9.5278                 4.2016
  Dep-P Fr= 1--      0.1511                 0.6482                 0.2989
  Dep-U Fr= 1--      0.2625                 0.7866                 0.4602
 Alpha2 Fr= 1--      0.0382                 0.0174                 0.0432
 Beta2  Fr= 1--      0.1085                 1.2491                 0.3223
 AlphaG Fr= 1--      0.0366                 0.1409                 0.0306
 Gamma2 Fr= 1--      0.0038                 6.9905                -2.8063
 Delta2 Fr= 1--      0.1697                 3.2067                -0.9391
 Raman1 Fr= 1--       9.921                 38.111                 16.806
 ROA1   Fr= 1--       5.798                773.707               -299.455
 CID1   Fr= 1--       0.584                 20.301                -17.818
 Raman2 Fr= 1--       1.302                 14.989                  3.867
 ROA2   Fr= 1--      -1.266                142.119                -59.838
 CID2   Fr= 1--      -0.973                  9.482                -15.473
 Raman3 Fr= 1--       2.604                 29.978                  7.735
 ROA3   Fr= 1--       5.798                773.707               -299.455
 CID3   Fr= 1--       2.227                 25.810                -38.715
 RC180  Fr= 1--      -0.475                  0.573                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.3419                 4.8733                 4.5524
  Dep-P Fr= 1--      0.7417                 0.4394                 0.7186
  Dep-U Fr= 1--      0.8517                 0.6105                 0.8363
 Alpha2 Fr= 1--      0.0002                 0.0312                 0.0025
 Beta2  Fr= 1--      0.1905                 0.4959                 0.6345
 AlphaG Fr= 1--      0.0005                -0.0231                 0.0002
 Gamma2 Fr= 1--      0.1158                -4.5791                 0.2975
 Delta2 Fr= 1--     -0.2526                -2.6578                 0.3085
 Raman1 Fr= 1--       5.367                 19.493                 18.210
 ROA1   Fr= 1--       3.034               -524.637                 38.434
 CID1   Fr= 1--       0.565                -26.914                  2.111
 Raman2 Fr= 1--       2.286                  5.950                  7.614
 ROA2   Fr= 1--       4.801                -88.635                  4.672
 CID2   Fr= 1--       2.100                -14.896                  0.614
 Raman3 Fr= 1--       4.571                 11.901                 15.228
 ROA3   Fr= 1--       3.034               -524.637                 38.434
 CID3   Fr= 1--       0.664                -44.084                  2.524
 RC180  Fr= 1--       0.703                  0.221                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      2.0230                 2.0997                 1.3081
  Dep-P Fr= 1--      0.5693                 0.7497                 0.4278
  Dep-U Fr= 1--      0.7256                 0.8569                 0.5992
 Alpha2 Fr= 1--      0.0069                 0.0000                 0.0087
 Beta2  Fr= 1--      0.2446                 0.2999                 0.1306
 AlphaG Fr= 1--      0.0119                -0.0003                 0.0092
 Gamma2 Fr= 1--     -1.7145                 2.9818                -0.7266
 Delta2 Fr= 1--     -1.3612                 2.2148                 0.0895
 Raman1 Fr= 1--       8.092                  8.399                  5.233
 ROA1   Fr= 1--    -208.152                357.125                -66.894
 CID1   Fr= 1--     -25.724                 42.520                -12.784
 Raman2 Fr= 1--       2.936                  3.599                  1.568
 ROA2   Fr= 1--     -30.259                 53.844                -18.156
 CID2   Fr= 1--     -10.308                 14.962                -11.581
 Raman3 Fr= 1--       5.871                  7.197                  3.135
 ROA3   Fr= 1--    -208.152                357.125                -66.894
 CID3   Fr= 1--     -35.454                 49.619                -21.335
 RC180  Fr= 1--       0.451                  0.714                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.6019                 0.5556                 0.8800
  Dep-P Fr= 1--      0.3904                 0.7122                 0.7155
  Dep-U Fr= 1--      0.5615                 0.8319                 0.8341
 Alpha2 Fr= 1--      0.0506                 0.0004                 0.0005
 Beta2  Fr= 1--      0.6179                 0.0770                 0.1223
 AlphaG Fr= 1--     -0.0626                 0.0047                -0.0000
 Gamma2 Fr= 1--      1.1902                 0.5239                -0.3681
 Delta2 Fr= 1--     -0.1942                 0.0817                 0.3041
 Raman1 Fr= 1--      26.408                  2.222                  3.520
 ROA1   Fr= 1--     108.048                 52.907                -25.606
 CID1   Fr= 1--       4.092                 23.805                 -7.274
 Raman2 Fr= 1--       7.415                  0.924                  1.468
 ROA2   Fr= 1--      30.120                 11.920                -11.267
 CID2   Fr= 1--       4.062                 12.894                 -7.674
 Raman3 Fr= 1--      14.829                  1.849                  2.936
 ROA3   Fr= 1--     108.048                 52.907                -25.606
 CID3   Fr= 1--       7.286                 28.615                 -8.721
 RC180  Fr= 1--       0.123                  0.664                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      7.2895                 5.1825                 1.2796
  Dep-P Fr= 1--      0.5016                 0.4559                 0.5203
  Dep-U Fr= 1--      0.6681                 0.6262                 0.6844
 Alpha2 Fr= 1--      0.0357                 0.0310                 0.0057
 Beta2  Fr= 1--      0.8116                 0.5409                 0.1460
 AlphaG Fr= 1--      0.0177                -0.0333                 0.0417
 Gamma2 Fr= 1--     -0.3209                 1.9492                -2.8984
 Delta2 Fr= 1--      0.5630                 1.0144                -1.5717
 Raman1 Fr= 1--      29.158                 20.730                  5.118
 ROA1   Fr= 1--     -12.788                219.583               -328.545
 CID1   Fr= 1--      -0.439                 10.593                -64.189
 Raman2 Fr= 1--       9.740                  6.491                  1.752
 ROA2   Fr= 1--     -12.205                 38.665                -56.989
 CID2   Fr= 1--      -1.253                  5.957                -32.535
 Raman3 Fr= 1--      19.479                 12.982                  3.503
 ROA3   Fr= 1--     -12.788                219.583               -328.545
 CID3   Fr= 1--      -0.656                 16.915                -93.783
 RC180  Fr= 1--       0.336                  0.252                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      4.9536                 3.6673                 8.6855
  Dep-P Fr= 1--      0.5818                 0.6666                 0.5819
  Dep-U Fr= 1--      0.7356                 0.8000                 0.7357
 Alpha2 Fr= 1--      0.0156                 0.0054                 0.0274
 Beta2  Fr= 1--      0.6073                 0.4889                 1.0650
 AlphaG Fr= 1--      0.0162                -0.0626                 0.0770
 Gamma2 Fr= 1--     -1.5007                -0.5853                 1.7755
 Delta2 Fr= 1--     -0.8497                -0.8549                 0.9574
 Raman1 Fr= 1--      19.815                 14.669                 34.742
 ROA1   Fr= 1--    -171.255                -83.548                201.085
 CID1   Fr= 1--      -8.643                 -5.696                  5.788
 Raman2 Fr= 1--       7.288                  5.867                 12.780
 ROA2   Fr= 1--     -29.218                 -7.209                 34.954
 CID2   Fr= 1--      -4.009                 -1.229                  2.735
 Raman3 Fr= 1--      14.576                 11.735                 25.559
 ROA3   Fr= 1--    -171.255                -83.548                201.085
 CID3   Fr= 1--     -11.749                 -7.120                  7.867
 RC180  Fr= 1--       0.471                  0.600                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      5.8749                 2.8514                 1.7544
  Dep-P Fr= 1--      0.7465                 0.6753                 0.2800
  Dep-U Fr= 1--      0.8548                 0.8062                 0.4375
 Alpha2 Fr= 1--      0.0004                 0.0038                 0.0191
 Beta2  Fr= 1--      0.8370                 0.3831                 0.1279
 AlphaG Fr= 1--      0.0026                -0.0207                -0.0203
 Gamma2 Fr= 1--      1.4953                -1.2207                -0.8769
 Delta2 Fr= 1--      0.1639                 0.1823                -0.1733
 Raman1 Fr= 1--      23.500                 11.406                  7.018
 ROA1   Fr= 1--     148.793               -111.349                -89.726
 CID1   Fr= 1--       6.332                 -9.763                -12.786
 Raman2 Fr= 1--      10.044                  4.597                  1.535
 ROA2   Fr= 1--      34.576                -30.754                -19.659
 CID2   Fr= 1--       3.442                 -6.689                -12.807
 Raman3 Fr= 1--      20.088                  9.195                  3.070
 ROA3   Fr= 1--     148.793               -111.349                -89.726
 CID3   Fr= 1--       7.407                -12.110                -29.226
 RC180  Fr= 1--       0.710                  0.612                 -0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.8817                 4.2828                 8.5981
  Dep-P Fr= 1--      0.3358                 0.5548                 0.4210
  Dep-U Fr= 1--      0.5028                 0.7137                 0.5925
 Alpha2 Fr= 1--      0.0357                 0.0159                 0.0590
 Beta2  Fr= 1--      0.3253                 0.5094                 0.8491
 AlphaG Fr= 1--      0.1048                 0.0238                -0.0191
 Gamma2 Fr= 1--     -0.2715                 0.6298                 1.4732
 Delta2 Fr= 1--     -0.8765                 0.8196                 0.5375
 Raman1 Fr= 1--      15.527                 17.131                 34.392
 ROA1   Fr= 1--     -54.108                 86.684                158.626
 CID1   Fr= 1--      -3.485                  5.060                  4.612
 Raman2 Fr= 1--       3.904                  6.113                 10.189
 ROA2   Fr= 1--       0.497                  8.557                 31.057
 CID2   Fr= 1--       0.127                  1.400                  3.048
 Raman3 Fr= 1--       7.807                 12.226                 20.377
 ROA3   Fr= 1--     -54.108                 86.684                158.626
 CID3   Fr= 1--      -6.930                  7.090                  7.784
 RC180  Fr= 1--       0.006                  0.427                  0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      4.2397                 3.7797                 2.4656
  Dep-P Fr= 1--      0.6605                 0.5454                 0.6256
  Dep-U Fr= 1--      0.7955                 0.7059                 0.7697
 Alpha2 Fr= 1--      0.0068                 0.0148                 0.0056
 Beta2  Fr= 1--      0.5621                 0.4446                 0.3163
 AlphaG Fr= 1--      0.0071                 0.0189                 0.0009
 Gamma2 Fr= 1--      4.0611                -2.2894                -0.9285
 Delta2 Fr= 1--      2.4199                -1.1168                -0.7916
 Raman1 Fr= 1--      16.959                 15.119                  9.862
 ROA1   Fr= 1--     467.306               -255.516               -114.469
 CID1   Fr= 1--      27.555                -16.901                -11.607
 Raman2 Fr= 1--       6.746                  5.336                  3.796
 ROA2   Fr= 1--      78.108                -46.011                -15.951
 CID2   Fr= 1--      11.579                 -8.623                 -4.202
 Raman3 Fr= 1--      13.491                 10.672                  7.591
 ROA3   Fr= 1--     467.306               -255.516               -114.469
 CID3   Fr= 1--      34.638                -23.944                -15.079
 RC180  Fr= 1--       0.591                  0.412                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      2.0046                 3.1741                 2.8721
  Dep-P Fr= 1--      0.6473                 0.6763                 0.4214
  Dep-U Fr= 1--      0.7859                 0.8069                 0.5930
 Alpha2 Fr= 1--      0.0037                 0.0041                 0.0197
 Beta2  Fr= 1--      0.2626                 0.4269                 0.2838
 AlphaG Fr= 1--      0.0019                -0.0169                 0.0507
 Gamma2 Fr= 1--      1.8240                -0.5329                 1.5869
 Delta2 Fr= 1--      0.0863                -0.4906                -0.0493
 Raman1 Fr= 1--       8.019                 12.696                 11.488
 ROA1   Fr= 1--     177.865                -66.852                150.761
 CID1   Fr= 1--      22.182                 -5.265                 13.123
 Raman2 Fr= 1--       3.151                  5.122                  3.406
 ROA2   Fr= 1--      43.085                 -8.864                 38.479
 CID2   Fr= 1--      13.674                 -1.730                 11.297
 Raman3 Fr= 1--       6.302                 10.244                  6.812
 ROA3   Fr= 1--     177.865                -66.852                150.761
 CID3   Fr= 1--      28.225                 -6.526                 22.131
 RC180  Fr= 1--       0.572                  0.614                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.4011                 0.2096                 0.2148
  Dep-P Fr= 1--      0.1197                 0.5511                 0.0781
  Dep-U Fr= 1--      0.2138                 0.7106                 0.1449
 Alpha2 Fr= 1--      0.0067                 0.0008                 0.0040
 Beta2  Fr= 1--      0.0143                 0.0248                 0.0052
 AlphaG Fr= 1--      0.0099                 0.0006                -0.0019
 Gamma2 Fr= 1--      0.1019                -0.0887                 0.0006
 Delta2 Fr= 1--     -0.0214                 0.0519                 0.0126
 Raman1 Fr= 1--       1.605                  0.838                  0.859
 ROA1   Fr= 1--       9.096                 -6.854                  0.461
 CID1   Fr= 1--       5.669                 -8.177                  0.536
 Raman2 Fr= 1--       0.171                  0.298                  0.062
 ROA2   Fr= 1--       2.617                 -2.544                 -0.087
 CID2   Fr= 1--      15.258                 -8.541                 -1.393
 Raman3 Fr= 1--       0.343                  0.596                  0.125
 ROA3   Fr= 1--       9.096                 -6.854                  0.461
 CID3   Fr= 1--      26.520                -11.507                  3.701
 RC180  Fr= 1--      -0.572                  0.421                 -0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.7773                 8.2667                 2.2121
  Dep-P Fr= 1--      0.7203                 0.7499                 0.7456
  Dep-U Fr= 1--      0.8374                 0.8571                 0.8543
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2481                 1.1809                 0.3149
 AlphaG Fr= 1--     -0.0054                -0.0010                -0.0026
 Gamma2 Fr= 1--      0.7050                -0.4012                -0.9418
 Delta2 Fr= 1--      0.4659                 0.4114                 0.0399
 Raman1 Fr= 1--       7.109                 33.067                  8.848
 ROA1   Fr= 1--      82.593                -25.352                -89.136
 CID1   Fr= 1--      11.618                 -0.767                -10.074
 Raman2 Fr= 1--       2.977                 14.171                  3.779
 ROA2   Fr= 1--      13.194                -12.921                -22.922
 CID2   Fr= 1--       4.432                 -0.912                 -6.065
 Raman3 Fr= 1--       5.953                 28.341                  7.559
 ROA3   Fr= 1--      82.593                -25.352                -89.136
 CID3   Fr= 1--      13.873                 -0.895                -11.793
 RC180  Fr= 1--       0.675                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      3.6511                 3.4727                13.3314
  Dep-P Fr= 1--      0.7496                 0.6787                 0.7486
  Dep-U Fr= 1--      0.8569                 0.8086                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0044                 0.0003
 Beta2  Fr= 1--      0.5214                 0.4680                 1.9024
 AlphaG Fr= 1--      0.0001                -0.0008                -0.0008
 Gamma2 Fr= 1--      2.6881                -1.5121                 2.6520
 Delta2 Fr= 1--      1.5752                -1.1493                -0.2886
 Raman1 Fr= 1--      14.605                 13.891                 53.325
 ROA1   Fr= 1--     308.470               -181.938                245.358
 CID1   Fr= 1--      21.122                -13.098                  4.601
 Raman2 Fr= 1--       6.257                  5.616                 22.829
 ROA2   Fr= 1--      51.914                -27.096                 65.957
 CID2   Fr= 1--       8.297                 -4.825                  2.889
 Raman3 Fr= 1--      12.514                 11.232                 45.657
 ROA3   Fr= 1--     308.470               -181.938                245.358
 CID3   Fr= 1--      24.650                -16.198                  5.374
 RC180  Fr= 1--       0.714                  0.617                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      2.6236                 2.0112                 3.5372
  Dep-P Fr= 1--      0.6868                 0.7400                 0.4878
  Dep-U Fr= 1--      0.8143                 0.8506                 0.6557
 Alpha2 Fr= 1--      0.0029                 0.0003                 0.0185
 Beta2  Fr= 1--      0.3561                 0.2851                 0.3866
 AlphaG Fr= 1--     -0.0101                -0.0052                 0.0011
 Gamma2 Fr= 1--     -3.0656                -1.6664                 2.0459
 Delta2 Fr= 1--     -0.7600                -0.6941                 0.9615
 Raman1 Fr= 1--      10.495                  8.045                 14.149
 ROA1   Fr= 1--    -318.620               -182.190                227.176
 CID1   Fr= 1--     -30.361                -22.647                 16.056
 Raman2 Fr= 1--       4.273                  3.421                  4.639
 ROA2   Fr= 1--     -67.496                -34.441                 41.410
 CID2   Fr= 1--     -15.796                -10.066                  8.927
 Raman3 Fr= 1--       8.546                  6.843                  9.277
 ROA3   Fr= 1--    -318.620               -182.190                227.176
 CID3   Fr= 1--     -37.283                -26.625                 24.487
 RC180  Fr= 1--       0.629                  0.701                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    150.4933                 3.0388                67.7674
  Dep-P Fr= 1--      0.0191                 0.7451                 0.5662
  Dep-U Fr= 1--      0.0374                 0.8539                 0.7231
 Alpha2 Fr= 1--      3.1982                 0.0003                 0.2356
 Beta2  Fr= 1--      0.9391                 0.4325                 8.1666
 AlphaG Fr= 1--      0.0693                -0.0038                -0.2710
 Gamma2 Fr= 1--     -1.3663                 4.4127               -16.2680
 Delta2 Fr= 1--     -0.4977                 2.4043               -13.7030
 Raman1 Fr= 1--     601.973                 12.155                271.070
 ROA1   Fr= 1--    -147.090                500.559              -2000.221
 CID1   Fr= 1--      -0.244                 41.180                 -7.379
 Raman2 Fr= 1--      11.269                  5.190                 97.999
 ROA2   Fr= 1--     -28.809                 86.670               -280.807
 CID2   Fr= 1--      -2.556                 16.700                 -2.865
 Raman3 Fr= 1--      22.538                 10.380                195.998
 ROA3   Fr= 1--    -147.090                500.559              -2000.221
 CID3   Fr= 1--      -6.526                 48.225                -10.205
 RC180  Fr= 1--      -0.925                  0.708                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    127.2595               197.8928                48.2593
  Dep-P Fr= 1--      0.1592                 0.1336                 0.4329
  Dep-U Fr= 1--      0.2747                 0.2357                 0.6043
 Alpha2 Fr= 1--      1.9218                 3.1881                 0.3164
 Beta2  Fr= 1--      5.8256                 7.7755                 4.8603
 AlphaG Fr= 1--      0.4270                -0.2116                 0.3783
 Gamma2 Fr= 1--     21.0663                -0.3199                 5.4048
 Delta2 Fr= 1--      7.9016                 6.7390                 5.5842
 Raman1 Fr= 1--     509.038                791.571                193.037
 ROA1   Fr= 1--    2275.212                184.939                697.561
 CID1   Fr= 1--       4.470                  0.234                  3.614
 Raman2 Fr= 1--      69.907                 93.306                 58.323
 ROA2   Fr= 1--     442.378                -61.589                 85.043
 CID2   Fr= 1--       6.328                 -0.660                  1.458
 Raman3 Fr= 1--     139.814                186.612                116.646
 ROA3   Fr= 1--    2275.212                184.939                697.561
 CID3   Fr= 1--      16.273                  0.991                  5.980
 RC180  Fr= 1--      -0.451                 -0.529                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    197.0062               223.8564               120.0618
  Dep-P Fr= 1--      0.1047                 0.1402                 0.2349
  Dep-U Fr= 1--      0.1895                 0.2460                 0.3804
 Alpha2 Fr= 1--      3.4099                 3.5470                 1.4839
 Beta2  Fr= 1--      6.2233                 9.1771                 7.6123
 AlphaG Fr= 1--      0.0112                -0.8607                 0.1478
 Gamma2 Fr= 1--     -7.2216               -20.0491                -5.0541
 Delta2 Fr= 1--      3.2360                -9.5669                -7.8146
 Raman1 Fr= 1--     788.025                895.426                480.247
 ROA1   Fr= 1--    -589.722              -2230.851               -735.264
 CID1   Fr= 1--      -0.748                 -2.491                 -1.531
 Raman2 Fr= 1--      74.679                110.125                 91.348
 ROA2   Fr= 1--    -199.207               -404.642                -58.783
 CID2   Fr= 1--      -2.668                 -3.674                 -0.644
 Raman3 Fr= 1--     149.359                220.250                182.695
 ROA3   Fr= 1--    -589.722              -2230.851               -735.264
 CID3   Fr= 1--      -3.948                -10.129                 -4.025
 RC180  Fr= 1--      -0.621                 -0.508                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     18.9910               260.4320                89.9146
  Dep-P Fr= 1--      0.5475                 0.0320                 0.3845
  Dep-U Fr= 1--      0.7076                 0.0620                 0.5555
 Alpha2 Fr= 1--      0.0736                 5.3685                 0.7033
 Beta2  Fr= 1--      2.2396                 2.6925                 8.3240
 AlphaG Fr= 1--     -0.1494                -0.7509                 0.2752
 Gamma2 Fr= 1--      5.9631                15.4131               -58.3355
 Delta2 Fr= 1--      1.1727                 8.0964               -36.2625
 Raman1 Fr= 1--      75.964               1041.728                359.659
 ROA1   Fr= 1--     609.981               1738.745              -6760.608
 CID1   Fr= 1--       8.030                  1.669                -18.797
 Raman2 Fr= 1--      26.875                 32.310                 99.888
 ROA2   Fr= 1--     133.732                305.145              -1109.952
 CID2   Fr= 1--       4.976                  9.444                -11.112
 Raman3 Fr= 1--      53.749                 64.620                199.777
 ROA3   Fr= 1--     609.981               1738.745              -6760.608
 CID3   Fr= 1--      11.349                 26.907                -33.841
 RC180  Fr= 1--       0.415                 -0.876                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    169.3987                89.1832                77.2867
  Dep-P Fr= 1--      0.7499                 0.6551                 0.7214
  Dep-U Fr= 1--      0.8571                 0.7916                 0.8382
 Alpha2 Fr= 1--      0.0002                 0.1516                 0.0380
 Beta2  Fr= 1--     24.1988                11.7662                10.7966
 AlphaG Fr= 1--      0.0037                 0.1000                -0.0684
 Gamma2 Fr= 1--     -6.9340                53.1940                -0.4690
 Delta2 Fr= 1--     -3.3602                33.4453                 3.1716
 Raman1 Fr= 1--     677.595                356.733                309.147
 ROA1   Fr= 1--    -773.190               6176.878                 56.471
 CID1   Fr= 1--      -1.141                 17.315                  0.183
 Raman2 Fr= 1--     290.385                141.194                129.559
 ROA2   Fr= 1--    -139.534               1009.095                -36.627
 CID2   Fr= 1--      -0.481                  7.147                 -0.283
 Raman3 Fr= 1--     580.770                282.389                259.119
 ROA3   Fr= 1--    -773.190               6176.878                 56.471
 CID3   Fr= 1--      -1.331                 21.874                  0.218
 RC180  Fr= 1--       0.714                  0.583                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     24.2018                55.9086               121.1784
  Dep-P Fr= 1--      0.7392                 0.4915                 0.4386
  Dep-U Fr= 1--      0.8501                 0.6590                 0.6097
 Alpha2 Fr= 1--      0.0044                 0.2872                 0.7772
 Beta2  Fr= 1--      3.4289                 6.1409                12.3147
 AlphaG Fr= 1--     -0.0157                -0.0487                 0.2130
 Gamma2 Fr= 1--     -3.4567                 2.5137                 3.0416
 Delta2 Fr= 1--     -2.0699                 0.9748                 1.5371
 Raman1 Fr= 1--      96.807                223.634                484.714
 ROA1   Fr= 1--    -398.081                272.509                341.182
 CID1   Fr= 1--      -4.112                  1.219                  0.704
 Raman2 Fr= 1--      41.147                 73.691                147.777
 ROA2   Fr= 1--     -66.402                 52.531                 60.702
 CID2   Fr= 1--      -1.614                  0.713                  0.411
 Raman3 Fr= 1--      82.293                147.382                295.553
 ROA3   Fr= 1--    -398.081                272.509                341.182
 CID3   Fr= 1--      -4.837                  1.849                  1.154
 RC180  Fr= 1--       0.700                  0.318                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129597D+03  0.420027D-01  0.632008D+00
      2   0.420027D-01  0.115432D+03 -0.869546D-01
      3   0.632008D+00 -0.869546D-01  0.110934D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.270925D+01  0.879808D+00  0.290764D+01
      2   0.341443D+01 -0.101030D+01  0.718928D+01
      3   0.415122D+01  0.266920D+01 -0.169524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.432166D+01 -0.222516D+02  0.117274D+02
      2  -0.688762D+01  0.102218D+02 -0.383377D+01
      3   0.112093D+02  0.120298D+02 -0.789360D+01
      4  -0.309763D+02 -0.100080D+02  0.291783D+01
      5   0.186081D+02  0.195901D+01  0.179850D+02
      6   0.728929D+00  0.426277D+01 -0.410367D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.106011D+01 -0.305508D+01  0.105679D+01 -0.352915D+01  0.216698D+00
      2  -0.305508D+01 -0.720052D+00  0.129954D+01  0.216698D+00  0.327244D+01
      3   0.105679D+01  0.129954D+01  0.286550D+01  0.182775D+01 -0.138744D+01
                 6             7             8             9            10 
      1   0.182775D+01  0.523618D+00  0.226257D+01  0.447999D+01 -0.571118D-01
      2  -0.138744D+01  0.226257D+01 -0.224686D+01 -0.231839D+01  0.394842D+01
      3  -0.160988D+01  0.447999D+01 -0.231839D+01 -0.472735D+00  0.158999D+01
                11            12            13            14            15 
      1   0.394842D+01  0.158999D+01  0.508898D+01  0.780911D+00  0.178136D+00
      2   0.167503D+01 -0.275637D+00  0.780911D+00 -0.544980D+01  0.569515D+00
      3  -0.275637D+00 -0.208181D+01  0.178136D+00  0.569515D+00  0.118393D+01
                16            17            18            19            20 
      1   0.285179D+01 -0.492408D-01 -0.245901D+01  0.100574D+01  0.172595D+01
      2  -0.492408D-01  0.178372D+01  0.130575D+01  0.172595D+01  0.728938D+00
      3  -0.245901D+01  0.130575D+01 -0.641738D+01 -0.760947D+00 -0.336948D+01
                21            22            23            24            25 
      1  -0.760947D+00  0.246006D+01  0.601121D+00 -0.333868D+01 -0.531990D+00
      2  -0.336948D+01  0.601121D+00 -0.423289D+01  0.155793D+01 -0.408208D+01
      3  -0.742476D+00 -0.333868D+01  0.155793D+01 -0.245824D+01 -0.776319D+00
                26            27            28            29            30 
      1  -0.408208D+01 -0.776319D+00 -0.310088D+01 -0.264286D+01  0.907140D+00
      2   0.219495D+01 -0.430317D+01 -0.264286D+01 -0.233717D+01  0.491250D+01
      3  -0.430317D+01 -0.421363D+00  0.907140D+00  0.491250D+01 -0.144650D+01
                31            32            33            34            35 
      1  -0.273729D+01 -0.197959D+01  0.516285D+01  0.770446D+00  0.574969D+01
      2  -0.197959D+01  0.168152D+01  0.693811D+00  0.574969D+01 -0.113524D+01
      3   0.516285D+01  0.693811D+00  0.323816D+01 -0.194114D+01  0.231787D+01
                36            37            38            39            40 
      1  -0.194114D+01  0.545806D+01  0.552628D+01  0.344095D+01  0.653905D+01
      2   0.231787D+01  0.552628D+01  0.192320D+01 -0.191215D+01  0.275165D+01
      3  -0.945686D+00  0.344095D+01 -0.191215D+01  0.823107D+00 -0.270890D+01
                41            42            43            44            45 
      1   0.275165D+01 -0.270890D+01  0.518615D+01 -0.220723D+01  0.453759D-01
      2  -0.349578D+01  0.320956D+01 -0.220723D+01  0.513627D+01 -0.302827D+01
      3   0.320956D+01 -0.276152D+01  0.453759D-01 -0.302827D+01 -0.249306D+01
                46            47            48            49            50 
      1  -0.466140D+01 -0.366036D+01 -0.293635D+01 -0.462062D+01 -0.166015D+00
      2  -0.366036D+01 -0.527333D+00 -0.119183D+00 -0.166015D+00  0.923449D+01
      3  -0.293635D+01 -0.119183D+00 -0.168494D+01 -0.193875D+00 -0.942751D+00
                51            52            53            54            55 
      1  -0.193875D+00 -0.643361D+01 -0.628307D+00 -0.508260D-01  0.184543D+01
      2  -0.942751D+00 -0.628307D+00 -0.833753D+00 -0.191142D+01 -0.296356D+00
      3  -0.308674D+01 -0.508260D-01 -0.191142D+01  0.397890D+01  0.385977D+01
                56            57            58            59            60 
      1  -0.296356D+00  0.385977D+01 -0.572947D+00 -0.193559D+01 -0.349447D+01
      2  -0.194178D+01 -0.362864D+01 -0.193559D+01 -0.155283D+01 -0.168285D+01
      3  -0.362864D+01  0.896565D+00 -0.349447D+01 -0.168285D+01  0.259510D+01
                61            62            63            64            65 
      1   0.284340D+01 -0.268079D+01  0.769840D+00 -0.300237D+01  0.182598D+01
      2  -0.268079D+01 -0.160921D+01  0.219064D+01  0.182598D+01 -0.132523D+01
      3   0.769840D+00  0.219064D+01 -0.299252D+00  0.181037D+01 -0.110232D+01
                66            67            68            69            70 
      1   0.181037D+01  0.182121D+01 -0.174882D+01 -0.128047D+01  0.316739D+01
      2  -0.110232D+01 -0.174882D+01  0.232000D+01  0.196224D+01 -0.190984D+01
      3  -0.184497D+01 -0.128047D+01  0.196224D+01  0.171014D+01 -0.321355D+01
                71            72            73            74            75 
      1  -0.190984D+01 -0.321355D+01  0.214116D+01 -0.409001D+01 -0.301842D+01
      2   0.275065D+01  0.252273D+01 -0.409001D+01 -0.205572D+01  0.646050D+00
      3   0.252273D+01  0.428733D+01 -0.301842D+01  0.646050D+00  0.239173D+01
                76            77            78            79            80 
      1  -0.596226D+01 -0.354873D+00  0.530469D+00 -0.399155D+01  0.215762D+00
      2  -0.354873D+00  0.685188D+01 -0.210920D+01  0.215762D+00 -0.241257D+01
      3   0.530469D+00 -0.210920D+01 -0.634743D+00  0.328490D+01  0.388839D-01
                81            82            83            84            85 
      1   0.328490D+01  0.641946D+00 -0.565125D+00  0.985695D+00 -0.854956D+00
      2   0.388839D-01 -0.565125D+00 -0.128310D+00 -0.620068D-02 -0.213689D+00
      3   0.492877D+01  0.985695D+00 -0.620068D-02  0.613448D+00  0.907086D-01
                86            87            88            89            90 
      1  -0.213689D+00  0.907086D-01  0.211291D+01  0.316690D+00  0.418702D+00
      2  -0.333073D+00  0.112088D+01  0.316690D+00  0.115520D+01 -0.127194D+01
      3   0.112088D+01 -0.116374D+01  0.418702D+00 -0.127194D+01  0.801924D+01
                91            92            93            94            95 
      1   0.605730D+01  0.325982D+01 -0.263896D+01  0.254686D+01  0.234145D+01
      2   0.325982D+01  0.307417D+01 -0.207402D+01  0.234145D+01  0.354342D+01
      3  -0.263896D+01 -0.207402D+01  0.231684D+01 -0.174781D+01 -0.169119D+01
                96            97            98            99           100 
      1  -0.174781D+01 -0.200816D+01 -0.173651D+01  0.233140D+01 -0.198509D+01
      2  -0.169119D+01 -0.173651D+01 -0.146445D+01  0.168962D+01 -0.493555D+01
      3   0.125668D+01  0.233140D+01  0.168962D+01 -0.255060D+01 -0.355972D+01
               101           102           103           104           105 
      1  -0.493555D+01 -0.355972D+01 -0.532559D+01 -0.192354D+01  0.133719D+01
      2  -0.117062D+01  0.988917D+00 -0.192354D+01  0.118557D+01 -0.431983D+01
      3   0.988917D+00  0.511262D+00  0.133719D+01 -0.431983D+01  0.313674D+01
               106           107           108           109           110 
      1  -0.287829D+01  0.147028D+01  0.561897D+00 -0.271816D+01 -0.478623D+01
      2   0.147028D+01 -0.334032D+01  0.275301D+01 -0.478623D+01 -0.863039D+00
      3   0.561897D+00  0.275301D+01  0.158475D+01 -0.224183D+01  0.142281D+01
               111           112           113           114           115 
      1  -0.224183D+01 -0.607892D+01 -0.278457D+01  0.180612D+01 -0.263125D+01
      2   0.142281D+01 -0.278457D+01  0.362415D+01 -0.272587D+01  0.158299D+01
      3   0.459481D+00  0.180612D+01 -0.272587D+01  0.276278D+01 -0.620611D+00
               116           117           118           119           120 
      1   0.158299D+01 -0.620611D+00  0.157220D+00 -0.104293D+01  0.493353D+00
      2  -0.336954D+01  0.348460D+01 -0.104293D+01  0.624091D+00 -0.149757D+00
      3   0.348460D+01  0.444103D+01  0.493353D+00 -0.149757D+00  0.156254D+00
               121           122           123           124           125 
      1  -0.157333D+01 -0.344428D+00  0.141611D+00  0.851599D+00  0.104853D+00
      2  -0.344428D+00 -0.111542D+02  0.121746D+00  0.104853D+00  0.345967D+00
      3   0.141611D+00  0.121746D+00 -0.793750D+00 -0.108296D+00 -0.116846D+01
               126           127           128           129           130 
      1  -0.108296D+00  0.218181D+01 -0.106595D+01 -0.205688D+01 -0.118335D+01
      2  -0.116846D+01 -0.106595D+01  0.131091D+01  0.131450D+01  0.108202D+01
      3  -0.573581D-01 -0.205688D+01  0.131450D+01  0.288373D+01  0.121813D+01
               131           132           133           134           135 
      1   0.108202D+01  0.121813D+01 -0.169513D+01  0.962360D+00  0.213920D+01
      2  -0.173810D+01 -0.176549D+01  0.962360D+00 -0.153936D+01 -0.233459D+01
      3  -0.176549D+01 -0.289665D+01  0.213920D+01 -0.233459D+01 -0.598559D+01
               136           137           138           139           140 
      1  -0.494959D+01  0.404981D+00 -0.330191D+01  0.947671D+00 -0.737092D+00
      2   0.404981D+00 -0.781792D+00  0.663258D+00 -0.737092D+00  0.680927D+00
      3  -0.330191D+01  0.663258D+00 -0.389671D+01  0.107454D+01 -0.768019D+00
               141           142           143           144           145 
      1   0.107454D+01 -0.218695D+01  0.481179D+00 -0.244609D+01 -0.361616D+01
      2  -0.768019D+00  0.481179D+00 -0.413637D+00  0.151707D+00  0.178883D+01
      3   0.984151D+00 -0.244609D+01  0.151707D+00 -0.409681D+01  0.125068D+01
               146           147           148           149           150 
      1   0.178883D+01  0.125068D+01  0.203728D+01 -0.105681D+01 -0.700657D+00
      2  -0.140051D+01 -0.100363D+01 -0.105681D+01  0.168335D+01  0.147514D+01
      3  -0.100363D+01 -0.256248D+01 -0.700657D+00  0.147514D+01  0.147034D+01
               151           152           153           154           155 
      1   0.133195D+01 -0.743675D+00 -0.135636D+01  0.659661D+01  0.307145D+01
      2  -0.743675D+00  0.124312D+01  0.946252D+00  0.307145D+01  0.228974D+01
      3  -0.135636D+01  0.946252D+00  0.224246D+01  0.281062D+01  0.111796D+01
               156           157           158           159           160 
      1   0.281062D+01  0.366115D+01  0.255275D+01  0.133333D+01  0.830149D+00
      2   0.111796D+01  0.255275D+01  0.250626D+01  0.168049D+01  0.324616D+00
      3   0.236859D+01  0.133333D+01  0.168049D+01  0.123311D+01  0.118479D+01
               161           162           163           164           165 
      1   0.324616D+00  0.118479D+01  0.105450D+01 -0.386291D+00  0.139068D+01
      2   0.603729D+00  0.548909D+00 -0.386291D+00  0.626361D+00 -0.464104D+00
      3   0.548909D+00  0.914773D+00  0.139068D+01 -0.464104D+00  0.833279D+00
               166           167           168           169           170 
      1  -0.114369D+01  0.134882D+01 -0.144986D+01  0.113079D+01 -0.734182D+00
      2   0.134882D+01 -0.407339D+01  0.340020D+01 -0.734182D+00  0.213258D+01
      3  -0.144986D+01  0.340020D+01 -0.473565D+01  0.117954D+01 -0.263717D+01
               171           172           173           174           175 
      1   0.117954D+01  0.183406D+00  0.214756D+00 -0.832538D+00  0.325447D-01
      2  -0.263717D+01  0.214756D+00  0.370929D-01  0.982620D-01  0.755414D+00
      3   0.466279D+01 -0.832538D+00  0.982620D-01  0.300366D+00  0.294954D+00
               176           177           178           179           180 
      1   0.755414D+00  0.294954D+00 -0.216799D+01  0.834640D+00  0.135796D+01
      2  -0.160531D+01 -0.115440D+01  0.834640D+00 -0.153473D+01 -0.227586D+01
      3  -0.115440D+01 -0.187229D+01  0.135796D+01 -0.227586D+01 -0.649850D+01
               181           182           183           184           185 
      1   0.166081D+01 -0.923693D+00  0.766195D+00 -0.216639D+01  0.318368D+01
      2  -0.923693D+00  0.879059D+00 -0.496912D+00  0.318368D+01 -0.669498D+01
      3   0.766195D+00 -0.496912D+00  0.264208D+00 -0.995848D+00  0.231874D+01
               186           187           188           189           190 
      1  -0.995848D+00  0.221562D+01 -0.171626D+01  0.117176D+01  0.940091D+01
      2   0.231874D+01 -0.171626D+01  0.329749D+01 -0.221211D+01  0.204419D+01
      3  -0.196301D+01  0.117176D+01 -0.221211D+01  0.170153D+01  0.303211D+00
               191           192           193           194           195 
      1   0.204419D+01  0.303211D+00  0.549026D+01  0.216106D+01 -0.126761D+00
      2   0.154837D+01  0.325146D-01  0.216106D+01  0.142437D+01  0.333012D+00
      3   0.325146D-01  0.794356D+00 -0.126761D+00  0.333012D+00  0.525296D+00
               196           197           198           199           200 
      1   0.106541D+01 -0.786017D-01  0.121432D+01 -0.456246D+01  0.106396D+01
      2  -0.786017D-01  0.514087D+00  0.393519D-01  0.106396D+01 -0.119655D+01
      3   0.121432D+01  0.393519D-01 -0.907051D-01 -0.214876D+01  0.411961D+00
               201           202           203           204           205 
      1  -0.214876D+01  0.690661D+00 -0.822582D+00  0.133389D+00 -0.348505D+01
      2   0.411961D+00 -0.822582D+00  0.173513D+00 -0.452968D+00  0.299049D+00
      3  -0.174475D+01  0.133389D+00 -0.452968D+00  0.359625D+00 -0.221604D+01
               206           207           208           209           210 
      1   0.299049D+00 -0.221604D+01 -0.126141D+01  0.135977D+01 -0.702728D+00
      2  -0.134000D+01  0.927677D+00  0.135977D+01 -0.180122D+01  0.108028D+01
      3   0.927677D+00 -0.249776D+01 -0.702728D+00  0.108028D+01 -0.422001D+00
               211           212           213           214           215 
      1   0.999488D+00 -0.143807D+01  0.787653D+00 -0.119814D+01  0.139812D+01
      2  -0.143807D+01  0.797246D+01 -0.318410D+01  0.139812D+01 -0.510263D+01
      3   0.787653D+00 -0.318410D+01  0.216745D+01 -0.573525D+00  0.361089D+01
               216           217           218           219           220 
      1  -0.573525D+00  0.168242D+01  0.940237D+00  0.118599D+01  0.743980D+00
      2   0.361089D+01  0.940237D+00  0.195369D+01  0.122769D+01  0.113795D+01
      3  -0.305746D+01  0.118599D+01  0.122769D+01  0.126365D+01  0.829256D+00
               221           222           223           224           225 
      1   0.113795D+01  0.829256D+00  0.162436D+01  0.115695D+01  0.126697D+01
      2   0.437481D+01  0.193557D+01  0.115695D+01  0.330352D+01  0.281827D+01
      3   0.193557D+01  0.182402D+01  0.126697D+01  0.281827D+01  0.339951D+01
               226           227           228           229           230 
      1  -0.146244D+01  0.179280D+00 -0.993076D+00  0.822257D+00 -0.292163D+00
      2   0.179280D+00 -0.371015D-01 -0.214470D+00 -0.292163D+00 -0.666807D+00
      3  -0.993076D+00 -0.214470D+00 -0.137302D+01 -0.987308D-01 -0.613856D+00
               231           232           233           234           235 
      1  -0.987308D-01 -0.281706D+01 -0.965919D+00 -0.231270D+01 -0.953728D+01
      2  -0.613856D+00 -0.965919D+00 -0.139613D+01 -0.663668D+00  0.609997D+00
      3   0.465039D-01 -0.231270D+01 -0.663668D+00 -0.633574D+01  0.291652D+01
               236           237           238           239           240 
      1   0.609997D+00  0.291652D+01  0.356052D+01 -0.103436D+01 -0.901969D+00
      2  -0.101140D+01 -0.307840D+00 -0.103436D+01  0.299161D+00  0.713838D+00
      3  -0.307840D+00 -0.186522D+01 -0.901969D+00  0.713838D+00  0.784559D+00
               241           242           243           244           245 
      1   0.443763D+01 -0.810245D-01 -0.265686D+01 -0.213075D+00 -0.513469D+00
      2  -0.810245D-01  0.107874D+01  0.217925D+00 -0.513469D+00  0.627198D+00
      3  -0.265686D+01  0.217925D+00  0.153463D+01  0.424164D+00 -0.919244D-01
               246           247           248           249           250 
      1   0.424164D+00 -0.169347D+01 -0.208133D+01  0.291938D+00  0.108194D+01
      2  -0.919244D-01 -0.208133D+01 -0.983119D+01  0.170530D+01  0.453909D+00
      3  -0.774964D-01  0.291938D+00  0.170530D+01 -0.130237D+01 -0.675316D+00
               251           252 
      1   0.453909D+00 -0.675316D+00
      2   0.219839D+01 -0.143904D+01
      3  -0.143904D+01  0.524283D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.477569D+01 -0.356960D+01 -0.339967D+01 -0.403000D+01  0.687161D+01
      2  -0.336171D+01 -0.229772D+01 -0.655230D+01 -0.296834D+01  0.322466D+01
      3  -0.866382D+01 -0.105486D+02  0.620561D+01 -0.374108D+01  0.711465D+01
                 6             7             8             9            10 
      1   0.999792D+00 -0.477573D+01  0.583683D+01 -0.294749D+00  0.457801D+01
      2   0.406917D+01 -0.154238D+02  0.539919D+01  0.174033D+00 -0.409806D+01
      3  -0.905066D-01  0.779232D+01 -0.608292D+00  0.517006D+00  0.873935D+01
                11            12            13            14            15 
      1   0.249596D+01 -0.142482D+01  0.210488D+01 -0.391990D+01 -0.973885D+00
      2  -0.132133D+01  0.469527D+01 -0.200415D+01 -0.250092D+01 -0.202627D+01
      3  -0.431969D+01 -0.250878D+01  0.303695D+01 -0.121137D+02  0.143880D+01
                16            17            18            19            20 
      1  -0.611243D+00  0.623061D+01 -0.479630D+01  0.216263D+01  0.107580D+02
      2   0.842808D+00 -0.232714D+01  0.153269D+02 -0.205849D+01  0.141039D+01
      3  -0.284376D+01  0.332698D+01  0.214758D+01  0.357522D+01  0.465047D+01
                21            22            23            24            25 
      1   0.285985D+01  0.105119D+02 -0.338014D+01  0.561134D+01  0.426679D+01
      2   0.198680D+01  0.167508D+01  0.538334D-01 -0.475517D+00 -0.205101D+01
      3  -0.260418D+01  0.114756D+02  0.143009D+00 -0.858767D+01 -0.299113D+01
                26            27            28            29            30 
      1   0.146675D+02  0.393730D+01  0.117115D+01 -0.785430D+01 -0.551510D+01
      2  -0.143339D+01  0.163401D+01 -0.146911D+00  0.408847D+01  0.138029D+01
      3  -0.100093D+02 -0.269401D+01  0.243960D+01 -0.507038D+01 -0.225320D+01
                31            32            33            34            35 
      1  -0.736018D+01 -0.282347D+01 -0.808992D+01 -0.382333D+01 -0.937921D+00
      2   0.407604D+01  0.109991D+00  0.923830D+01 -0.538756D+01  0.106338D+02
      3   0.886555D+00 -0.388814D+01  0.638088D+01 -0.476472D+01  0.843107D+01
                36            37            38            39            40 
      1  -0.335948D+01  0.489866D+01  0.422564D+00 -0.125561D-01  0.224385D+01
      2  -0.220545D+01  0.548778D+01 -0.499038D+01  0.379804D+01 -0.683494D+01
      3  -0.402645D+01 -0.136385D+02 -0.117687D+02  0.210913D+01 -0.326984D+01
                41            42            43            44            45 
      1   0.110469D+01 -0.403110D+01 -0.997343D+00  0.473400D+01 -0.389777D+01
      2   0.728676D+01 -0.713291D+01 -0.718378D+01 -0.726437D+01 -0.676145D+01
      3   0.436874D+01 -0.561590D+01  0.108513D+01 -0.974966D+01  0.737641D+01
                46            47            48            49            50 
      1  -0.619860D+01 -0.797161D+00 -0.118361D+01  0.125761D+00 -0.176318D+00
      2  -0.208956D+01 -0.124767D+01  0.422920D+00 -0.452187D+00  0.257848D+00
      3   0.554067D+01  0.330193D+01  0.328331D+01  0.112594D+02  0.333763D+01
                51            52            53            54            55 
      1  -0.759799D+01 -0.285743D+01 -0.194781D+01  0.974395D+01  0.273549D+01
      2   0.220963D+01 -0.572865D+01 -0.340553D+00 -0.269249D+01  0.555492D+01
      3   0.658332D+00  0.731875D+01  0.567963D+00 -0.821163D+00 -0.540483D+00
                56            57            58            59            60 
      1   0.615587D+01  0.105250D+02  0.253799D+01  0.288751D+01  0.520734D+01
      2  -0.229917D+01  0.144180D+02 -0.240073D+01 -0.739108D+01 -0.112599D+02
      3  -0.142273D+01 -0.251249D+01  0.269389D+01  0.134499D+01  0.181442D+01
                61            62            63            64            65 
      1   0.911261D+01  0.854869D+01 -0.795666D+01 -0.177076D+01  0.396398D+00
      2   0.585919D+01 -0.780828D+01  0.824297D+00 -0.199394D+01  0.163501D+01
      3  -0.123690D+01  0.168898D+01  0.103537D+00 -0.118809D+01 -0.187981D+01
                66            67            68            69            70 
      1   0.288506D+01  0.147637D+01 -0.115056D+01 -0.312640D+01  0.393418D+01
      2   0.480782D+01  0.132295D+01 -0.358940D+01 -0.388512D+01  0.306587D+01
      3   0.211757D+00  0.176464D+01  0.248834D+01  0.139826D+01  0.185397D+01
                71            72            73            74            75 
      1   0.242944D+00 -0.613537D+01 -0.611433D+01 -0.581640D+00  0.367662D+01
      2  -0.424935D+01 -0.847135D+01  0.106540D+02 -0.870881D-01 -0.543908D+01
      3   0.447867D+01  0.185372D+00 -0.180534D+02 -0.170853D+01  0.650795D+01
                76            77            78            79            80 
      1  -0.970311D-01 -0.291715D+01 -0.230364D+01  0.568136D+01  0.179576D+01
      2  -0.115031D+00  0.705571D+01  0.141810D+01 -0.134373D+02 -0.156406D+01
      3   0.108048D+02  0.245918D+02 -0.832162D+01  0.649018D+01 -0.778731D+01
                81            82            83            84            85 
      1   0.762167D+01  0.462331D+00 -0.231377D+00  0.707154D+00 -0.171141D+00
      2  -0.175405D+02 -0.358033D+01  0.882543D-01 -0.156909D+01  0.383865D+00
      3  -0.452153D+01 -0.202031D+01 -0.308136D+00 -0.405010D+00  0.240561D+01
                86            87            88            89            90 
      1   0.514893D+00 -0.722284D+00  0.106705D+01  0.305616D+01  0.469981D+01
      2  -0.164462D+01  0.155045D+01 -0.711415D+01  0.138615D+01 -0.149047D+02
      3   0.538530D+00  0.196821D+01 -0.147695D+01  0.206684D+01 -0.146881D+01
                91            92            93            94            95 
      1  -0.454012D+00 -0.176685D+01 -0.196252D+01 -0.498381D+00 -0.277487D+01
      2   0.431443D+01  0.866777D+00  0.255834D+01  0.181928D+01  0.747486D+00
      3   0.552623D+01 -0.263085D+01 -0.761631D+00  0.339219D+01 -0.172338D+01
                96            97            98            99           100 
      1  -0.168583D+01 -0.104182D+01  0.180285D+01  0.256787D+01 -0.105072D+02
      2   0.823939D+00 -0.169675D+01 -0.458661D+00 -0.148113D+01 -0.259564D+01
      3  -0.450774D+00 -0.200492D+01  0.173439D+00  0.124647D+01  0.930518D+01
               101           102           103           104           105 
      1  -0.192474D+01  0.185492D+01 -0.553582D+01  0.235920D+01 -0.138962D+02
      2   0.125284D+02  0.125722D+02  0.146275D+02 -0.478067D+01  0.346219D+01
      3  -0.374135D+00 -0.273828D+01  0.489162D+01 -0.235229D+01  0.882068D+01
               106           107           108           109           110 
      1   0.391343D+01 -0.643393D+01  0.646333D+01 -0.866576D+00  0.181741D+01
      2   0.626481D+01  0.193154D+01  0.112968D+01 -0.705150D+01  0.291263D+01
      3  -0.367984D+01  0.669186D+01 -0.509255D+01  0.195406D+02  0.848670D+01
               111           112           113           114           115 
      1  -0.236872D+00  0.271769D+01 -0.450847D+01  0.317790D+01 -0.255124D+01
      2   0.183667D+01  0.265129D+01 -0.904539D+01  0.108356D+02 -0.687441D+01
      3  -0.213377D+01  0.183734D+02 -0.986157D+01  0.645943D+01 -0.188017D+01
               116           117           118           119           120 
      1   0.800212D+01  0.594382D+01  0.125176D+01 -0.207160D+00 -0.295789D-01
      2   0.130376D+02  0.166106D+02 -0.429820D+00 -0.204566D+00  0.105312D+01
      3   0.732132D+01 -0.108470D+02 -0.170561D+00 -0.568119D+00 -0.554098D+00
               121           122           123           124           125 
      1   0.431732D+00  0.267903D+01 -0.571717D+01  0.202182D+00 -0.401299D+00
      2  -0.740010D-02 -0.707472D+00  0.354742D+00 -0.153412D+01  0.183444D+00
      3   0.762325D+01 -0.133589D+01 -0.185944D+00 -0.150878D+01 -0.252314D+00
               126           127           128           129           130 
      1  -0.227991D-01  0.232398D+01 -0.433240D+01 -0.194562D+01 -0.273142D+01
      2  -0.800460D-02  0.765802D+01 -0.289389D+01 -0.294507D+01 -0.414944D+01
      3   0.648609D-02 -0.164108D+01 -0.606770D+00  0.760617D+00  0.249067D+01
               131           132           133           134           135 
      1   0.416740D+01  0.889219D+00 -0.193816D+01  0.447719D+01  0.287905D+01
      2   0.267561D+01  0.255292D+01 -0.651813D+01  0.251086D+01  0.291300D+01
      3  -0.175553D+00 -0.225157D+00  0.141977D+01  0.588085D+00 -0.657594D+00
               136           137           138           139           140 
      1  -0.187077D+01  0.437773D+01 -0.259260D+01  0.201088D+01 -0.244643D+01
      2  -0.154984D+02  0.107206D+01 -0.473800D+01  0.306422D+01 -0.166426D+01
      3   0.122729D+01 -0.285177D+01  0.127112D+01  0.585478D+00  0.633122D+00
               141           142           143           144           145 
      1   0.116343D+00 -0.171412D+01  0.277139D+01 -0.965116D+00  0.429071D+01
      2   0.223738D+01 -0.709324D+01  0.988318D+00 -0.424419D+01  0.145522D+02
      3  -0.297294D+00  0.278172D+00 -0.187512D+01  0.918866D+00 -0.566322D+01
               146           147           148           149           150 
      1  -0.493758D+01 -0.524409D+00 -0.374226D+01  0.486033D+01  0.852779D+00
      2  -0.617683D+01 -0.479779D+01 -0.721817D+01  0.525351D+01  0.309338D+01
      3   0.169022D+01  0.168885D+01  0.431560D+01 -0.266558D+01 -0.224738D+01
               151           152           153           154           155 
      1  -0.136250D+01  0.343734D+01  0.990234D+00  0.639854D+01  0.568040D+01
      2  -0.729216D+01  0.341367D+01  0.523566D+01 -0.890903D+01 -0.415637D+01
      3   0.227408D+01 -0.121024D+01 -0.183621D+01 -0.276233D+01 -0.576636D+01
               156           157           158           159           160 
      1   0.755792D+00  0.490498D+01  0.541676D+01  0.138253D+01  0.619711D+00
      2   0.164700D+01 -0.621987D+01 -0.196946D+01  0.794894D+00 -0.171823D+01
      3  -0.177549D+01 -0.152257D+01 -0.500073D+01 -0.251831D+01  0.507179D-02
               161           162           163           164           165 
      1   0.223475D+01  0.852009D+00 -0.692842D+00  0.182247D+01 -0.851441D+00
      2  -0.404671D+00 -0.670726D+00  0.665631D+00 -0.220255D+00  0.238965D-01
      3  -0.111741D+01 -0.486315D+00  0.566551D+00 -0.185931D+01  0.993387D+00
               166           167           168           169           170 
      1   0.294466D+01 -0.107937D+02  0.506706D+01 -0.201303D+01  0.775479D+01
      2   0.134374D+01  0.361551D+01 -0.650933D+01 -0.259684D+01 -0.272319D+01
      3  -0.148925D+00  0.731982D+01 -0.585190D+01  0.503166D+00 -0.431014D+01
               171           172           173           174           175 
      1  -0.570283D+01 -0.168316D+01  0.810117D-01 -0.237969D+00 -0.237657D-01
      2   0.575977D+01 -0.322611D+01  0.881821D+00  0.698773D-01  0.461904D+00
      3   0.465301D+01 -0.139155D+00 -0.101082D+01  0.772651D+00 -0.772257D+00
               176           177           178           179           180 
      1   0.150866D+00 -0.308613D+01  0.169706D+00  0.512320D+00 -0.849870D+01
      2  -0.276053D+01 -0.584388D+01 -0.189793D+01 -0.599979D+01 -0.209598D+02
      3   0.346145D+01  0.286691D+01  0.145592D+01  0.418835D+01  0.594588D+01
               181           182           183           184           185 
      1   0.118828D+01 -0.891505D+00  0.894348D+00 -0.183949D+01  0.370214D+01
      2   0.247299D+01 -0.184947D+01  0.218131D+01 -0.249069D+01  0.779545D+01
      3   0.111115D+01 -0.352770D+01  0.664420D+00 -0.417695D+01  0.171433D+02
               186           187           188           189           190 
      1  -0.603602D+01  0.125792D+01 -0.199035D+01  0.382816D+01 -0.364975D+00
      2  -0.738154D+01  0.193060D+01 -0.636536D+01  0.537892D+01  0.294295D+01
      3  -0.586295D+01  0.102491D+01 -0.861353D+01  0.541080D+01 -0.161031D+02
               191           192           193           194           195 
      1  -0.373070D+00  0.228978D+00 -0.546289D+00 -0.130433D+00 -0.105565D+01
      2   0.107336D+01  0.574711D+01  0.100543D+01  0.172198D+01  0.285719D+01
      3  -0.103099D+02 -0.515396D+00 -0.983235D+01 -0.808518D+01 -0.109564D+01
               196           197           198           199           200 
      1   0.973700D+00  0.384390D+00 -0.263305D+00  0.361122D+01  0.361888D+00
      2   0.219658D+01 -0.991447D-01  0.141189D-01  0.506539D+01 -0.986211D+00
      3  -0.535821D+00 -0.188204D+01 -0.106999D+01 -0.453077D+01 -0.350473D+01
               201           202           203           204           205 
      1   0.307402D+01 -0.811853D-01  0.406136D+00 -0.161970D+01  0.296323D+01
      2   0.678342D+01 -0.131281D+00  0.118790D+01 -0.934193D+00  0.406135D+01
      3  -0.237343D+01  0.692441D+00 -0.167018D+01 -0.542521D+00 -0.498796D+01
               206           207           208           209           210 
      1  -0.696999D-01  0.468610D+01  0.113006D+01 -0.257297D+01  0.149666D+01
      2  -0.197600D+01  0.764028D+01 -0.814061D+00  0.297670D+00  0.118945D+01
      3  -0.382736D+01 -0.136611D+01 -0.346905D+01  0.940188D+00 -0.133559D+01
               211           212           213           214           215 
      1  -0.161858D+01  0.482605D+01 -0.733057D+01  0.233179D+00 -0.508659D+01
      2   0.103718D+01  0.190805D+00 -0.930503D+00 -0.199561D+01 -0.103788D+00
      3   0.463727D+01 -0.728475D+00  0.932767D+00 -0.432527D+01  0.144157D+01
               216           217           218           219           220 
      1   0.762332D+01 -0.365997D+01 -0.303458D+01 -0.473383D+01 -0.227879D+01
      2   0.704270D+00  0.664292D-01 -0.347432D+00  0.754175D+00 -0.836000D+00
      3   0.231000D-01  0.551807D+01  0.456587D+00  0.347453D+01  0.351575D+01
               221           222           223           224           225 
      1  -0.502860D+01 -0.649470D+01 -0.424004D+01 -0.558475D+01 -0.119239D+02
      2  -0.785502D+00  0.352364D+00 -0.229941D+01 -0.273157D+00 -0.100177D+01
      3   0.279443D+01  0.268756D+01  0.655426D+01  0.322537D+01  0.365278D+01
               226           227           228           229           230 
      1  -0.174395D+01  0.101841D+00 -0.212770D+01 -0.377381D+00 -0.890875D+00
      2   0.335330D+01  0.960564D+00  0.485688D+01  0.804780D+00  0.183769D+01
      3   0.226075D+01 -0.110454D+01  0.696151D+00 -0.468180D+00 -0.115202D+01
               231           232           233           234           235 
      1  -0.800048D+00 -0.272204D+01  0.207026D+01 -0.102484D+02  0.401013D+01
      2  -0.561455D+00  0.346214D+01  0.130766D+01  0.222934D+02 -0.517969D+01
      3  -0.140575D+01  0.115816D+01 -0.400131D+01  0.152173D+01  0.152798D+02
               236           237           238           239           240 
      1  -0.153911D+01 -0.237507D+01 -0.121834D+01  0.138602D+01  0.518466D+00
      2   0.990938D+00  0.803541D+01  0.126246D+01 -0.188170D+01 -0.301817D+01
      3  -0.719699D+01 -0.525681D+01 -0.620212D+01  0.299227D+01  0.333904D+01
               241           242           243           244           245 
      1  -0.298501D+01  0.208952D+01  0.155591D+01  0.489921D+00  0.142475D+00
      2   0.493185D+01 -0.846200D+00 -0.418806D+01 -0.144047D+01  0.224834D+00
      3  -0.617170D+01  0.478068D+01  0.409288D+01 -0.206466D+01  0.108528D+01
               246           247           248           249           250 
      1   0.194930D+00 -0.174951D+00 -0.344446D+00 -0.473049D+01 -0.743863D+00
      2   0.698248D+00  0.292469D+00 -0.429374D+01  0.410850D+01  0.419140D+00
      3  -0.866037D+00  0.980235D-01 -0.275048D+02  0.485121D+01 -0.805908D+00
               251           252 
      1  -0.469809D+00  0.627499D+00
      2   0.343014D+01 -0.826525D+00
      3   0.627286D+01 -0.291415D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.404773D+01  0.987483D+01 -0.111570D+02  0.720185D+01 -0.179949D+01
      2   0.292535D+01 -0.679221D+01  0.610512D+01 -0.490790D+01  0.426294D+01
      3   0.112238D+01 -0.308263D+01  0.505188D+01 -0.229395D+01 -0.246346D+01
      4   0.152686D+02 -0.420755D+01 -0.281470D+00 -0.897015D+01 -0.975167D+01
      5  -0.256003D+01 -0.529717D+01 -0.144797D+02 -0.700759D+01  0.540433D+01
      6  -0.200898D+00  0.722747D+01  0.831885D+01  0.750684D+01 -0.677471D+01
                 6             7             8             9            10 
      1   0.428419D-01 -0.145656D+02 -0.219015D+01 -0.132970D+02 -0.331394D+01
      2  -0.167217D+01  0.973655D+01  0.302615D+01  0.685067D+01 -0.100386D+01
      3   0.162932D+01  0.482904D+01 -0.835997D+00  0.644636D+01  0.431780D+01
      4   0.818662D+01 -0.154983D+01  0.117062D+02  0.197098D+02 -0.222295D+02
      5   0.782733D+01 -0.219836D+02  0.135470D+02  0.393925D+01 -0.499414D+01
      6  -0.655764D+01  0.143884D+02 -0.759410D+01 -0.715811D+01 -0.690509D+00
                11            12            13            14            15 
      1  -0.126860D+02 -0.385353D+01 -0.168070D+02 -0.858048D+01 -0.230595D+01
      2   0.215140D+01  0.140559D+01  0.630215D+01  0.941192D+01  0.744451D+00
      3   0.105346D+02  0.244794D+01  0.105048D+02 -0.831444D+00  0.156150D+01
      4  -0.128144D+02 -0.229794D+01 -0.116943D+02  0.122479D+02 -0.382994D+00
      5   0.224370D+01  0.436328D+01  0.144130D+01 -0.107060D+01 -0.312128D+01
      6  -0.258557D+01  0.396040D+00 -0.101434D+01 -0.818175D+00 -0.202794D+01
                16            17            18            19            20 
      1  -0.267297D+01 -0.412861D+01  0.202180D+02 -0.500368D+01 -0.530750D+01
      2   0.134125D+01 -0.288655D+01  0.215707D+01  0.431455D+01  0.502784D+00
      3   0.133173D+01  0.701516D+01 -0.223751D+02  0.689122D+00  0.480471D+01
      4  -0.470007D+01 -0.533695D+01 -0.164902D+01  0.263651D+00 -0.456584D+01
      5   0.130217D+02 -0.275755D+01  0.145986D+02 -0.322607D+01  0.109627D+01
      6   0.162444D+01  0.131466D+01  0.123786D+02 -0.272355D+01 -0.147289D+02
                21            22            23            24            25 
      1   0.109280D+02 -0.716694D+01  0.184022D+02 -0.552824D+01  0.162878D+02
      2  -0.162671D+02  0.419574D+01 -0.218569D+02  0.712847D+01 -0.187426D+02
      3   0.533902D+01  0.297120D+01  0.345469D+01 -0.160023D+01  0.245477D+01
      4  -0.179536D+01  0.224710D+01  0.453836D+01 -0.136232D+02 -0.419460D+01
      5  -0.197852D+01  0.125112D+01 -0.706890D+01  0.273178D+00  0.899470D+00
      6   0.120152D+01 -0.144675D+02  0.125629D+02 -0.163600D+02 -0.304029D+01
                26            27            28            29            30 
      1  -0.893820D+01  0.163636D+02 -0.448559D+01 -0.248331D+01 -0.164344D+01
      2   0.103848D+02 -0.222901D+02  0.390621D+01  0.117061D+02  0.918416D+01
      3  -0.144661D+01  0.592654D+01  0.579371D+00 -0.922281D+01 -0.754072D+01
      4  -0.139217D+02 -0.342950D+01 -0.142063D+02 -0.135104D+02  0.137148D+02
      5  -0.750476D+00 -0.381482D+01  0.109610D+02  0.120186D+02 -0.111699D+02
      6  -0.264776D+02  0.144568D+01  0.884248D+01  0.121243D+02 -0.128037D+02
                31            32            33            34            35 
      1   0.163106D+01 -0.621239D+01  0.717880D+01 -0.334367D+01  0.136683D+02
      2   0.451593D+01  0.118779D+02 -0.477331D+01  0.767007D+01 -0.610203D+01
      3  -0.614699D+01 -0.566550D+01 -0.240549D+01 -0.432641D+01 -0.756630D+01
      4  -0.138725D+02 -0.647873D+01  0.599770D+01  0.195865D+02  0.571723D+01
      5   0.821411D+01  0.233385D+01 -0.268246D+01 -0.964303D+01 -0.314519D+01
      6   0.805594D+01  0.252273D+01 -0.697783D+01 -0.935192D+01  0.110196D+00
                36            37            38            39            40 
      1  -0.606547D+01  0.443782D+01  0.169658D+02  0.143670D+02  0.183808D+02
      2   0.871603D+01 -0.107108D+02 -0.116106D+02 -0.645148D+01 -0.942476D+01
      3  -0.265056D+01  0.627301D+01 -0.535522D+01 -0.791550D+01 -0.895599D+01
      4  -0.898171D-01  0.161328D+02 -0.567487D+00 -0.104150D+02  0.151383D+01
      5  -0.881305D+00  0.158558D+02 -0.466915D+01  0.735638D+01 -0.220942D+01
      6   0.189139D+00 -0.206134D+01  0.575909D+00  0.368100D+01  0.419070D+01
                41            42            43            44            45 
      1  -0.310643D+01 -0.112834D+01  0.157682D+02 -0.478808D+01  0.617151D+01
      2   0.697624D+00  0.611160D+01 -0.787088D+01  0.337734D+01 -0.255950D+00
      3   0.240881D+01 -0.498325D+01 -0.789737D+01  0.141074D+01 -0.591556D+01
      4  -0.463612D+01  0.105665D+02 -0.134092D+02  0.906109D+01 -0.117003D+02
      5   0.125339D+02 -0.740095D+01  0.393214D+01 -0.100412D+02 -0.633270D+01
      6  -0.915371D+00  0.769522D+01 -0.254944D+01 -0.412503D+00 -0.278720D+01
                46            47            48            49            50 
      1  -0.874426D+01 -0.611812D-01 -0.365962D+01  0.333214D+00  0.248520D+02
      2   0.557228D+01  0.503405D+01  0.471590D+01  0.103813D+01 -0.388729D+02
      3   0.317198D+01 -0.497287D+01 -0.105628D+01 -0.137135D+01  0.140209D+02
      4   0.391451D+01  0.239866D+01  0.255405D+01  0.401136D+01  0.156236D+01
      5  -0.675779D+01 -0.425603D+01 -0.410792D+01 -0.536912D+01 -0.766954D+01
      6  -0.159362D+00  0.101406D+01 -0.508794D+01 -0.350734D+01 -0.347528D+01
                51            52            53            54            55 
      1  -0.774738D+01 -0.142117D+01 -0.190303D+01  0.766566D+00  0.599002D+01
      2  -0.792549D+00  0.439593D+01 -0.102725D+01  0.876951D+01  0.863544D+01
      3   0.853992D+01 -0.297477D+01  0.293029D+01 -0.953607D+01 -0.146255D+02
      4  -0.448113D+01  0.608044D+01  0.190084D+01  0.161425D+01  0.173477D+01
      5   0.947087D+00 -0.207521D+01  0.175403D+01 -0.176268D+01 -0.596557D+01
      6  -0.622247D-01  0.203833D+00  0.398467D+01 -0.222175D+01  0.824549D+00
                56            57            58            59            60 
      1  -0.725652D+01 -0.396066D-01 -0.728455D+01 -0.520175D+01  0.710566D+01
      2  -0.937767D+01 -0.360484D+00 -0.780397D+01 -0.124717D+01  0.550658D+01
      3   0.166342D+02  0.400091D+00  0.150885D+02  0.644892D+01 -0.126122D+02
      4  -0.152133D+01 -0.209384D+01 -0.126429D+01  0.156902D+01  0.371578D+01
      5   0.144417D+01 -0.143336D+02  0.319686D+01  0.745771D+01  0.102328D+02
      6   0.420866D+01  0.162369D+02  0.797201D+01  0.128663D+01  0.200038D+01
                61            62            63            64            65 
      1  -0.264448D+01  0.901693D+00 -0.204181D+01  0.106459D+02 -0.478865D+01
      2  -0.175626D+01  0.868732D+01 -0.126800D+01 -0.553302D+01  0.835000D+00
      3   0.440075D+01 -0.958901D+01  0.330982D+01 -0.511290D+01  0.395365D+01
      4  -0.689605D+01 -0.371395D+00  0.447646D+01 -0.151884D+02  0.120941D+02
      5  -0.933801D+01  0.819212D+01  0.182063D+01 -0.123981D+02  0.683508D+01
      6   0.116171D+02 -0.120818D+01 -0.701599D+01  0.770776D+01 -0.642402D+01
                66            67            68            69            70 
      1  -0.410703D+01 -0.251197D+01 -0.338765D+01 -0.197288D+01 -0.598617D+01
      2   0.278146D+01 -0.130973D+01  0.810989D+01  0.305561D+01  0.517942D+01
      3   0.132557D+01  0.382170D+01 -0.472225D+01 -0.108273D+01  0.806745D+00
      4   0.869848D+01  0.141401D+02 -0.132808D+02 -0.110958D+02  0.140824D+02
      5   0.128774D+02  0.661525D+01 -0.923364D+01 -0.805256D+01  0.183137D+02
      6  -0.710180D+01 -0.768260D+01  0.110040D+02  0.106593D+02 -0.123807D+02
                71            72            73            74            75 
      1  -0.179073D+01  0.119546D+00 -0.218947D+02  0.194196D+02  0.202546D+02
      2   0.205419D+01 -0.625383D+01  0.231601D+02 -0.621401D+01 -0.124355D+02
      3  -0.263458D+00  0.613429D+01 -0.126548D+01 -0.132056D+02 -0.781907D+01
      4  -0.152745D+02 -0.160457D+02  0.243601D+02  0.162256D+02  0.173608D+00
      5  -0.118964D+02 -0.206584D+02  0.244034D+02 -0.464019D+01 -0.164345D+02
      6   0.137862D+02  0.180568D+02  0.462672D+01 -0.338520D+00 -0.409549D+01
                76            77            78            79            80 
      1   0.326828D+02  0.227413D+02 -0.944792D+01  0.237055D+02 -0.590431D+01
      2  -0.186566D+02 -0.319349D+02  0.115629D+02 -0.117270D+02  0.103163D+02
      3  -0.140261D+02  0.919360D+01 -0.211499D+01 -0.119785D+02 -0.441195D+01
      4   0.111214D+02 -0.276383D+02  0.957505D+01  0.380317D+01  0.107477D+02
      5  -0.626614D+01  0.110399D+02  0.392223D+01 -0.236053D+02 -0.175755D+00
      6   0.540755D+00  0.131339D+02 -0.108940D+01 -0.690737D+01 -0.213033D+01
                81            82            83            84            85 
      1  -0.178349D+02 -0.650952D+00  0.226401D+01 -0.192752D+01  0.220498D+01
      2   0.122727D+02 -0.316563D+01 -0.575525D+00  0.406284D+00 -0.712077D+00
      3   0.556224D+01  0.381659D+01 -0.168848D+01  0.152124D+01 -0.149290D+01
      4  -0.382694D+01  0.198832D+01  0.311324D+01 -0.793930D+00  0.432733D+01
      5  -0.269875D+02  0.411029D+00 -0.513106D+00  0.579241D+01 -0.327796D+00
      6  -0.133327D+02 -0.105584D+01  0.650858D+00 -0.561826D+00  0.494725D+00
                86            87            88            89            90 
      1  -0.359912D+01  0.320833D+01 -0.503920D+01  0.312408D+01 -0.206461D+02
      2   0.960946D+00 -0.865285D+00  0.113602D+01  0.161274D+01 -0.131599D+02
      3   0.263817D+01 -0.234304D+01  0.390318D+01 -0.473682D+01  0.338059D+02
      4   0.750894D+00 -0.240788D+01 -0.288840D+01 -0.427210D+01  0.209235D+01
      5  -0.202517D+01  0.260821D+01  0.417365D+01  0.355212D+01 -0.182016D+02
      6  -0.358161D+01  0.804649D+01  0.282356D+00  0.619664D+01 -0.122062D+02
                91            92            93            94            95 
      1   0.152901D+02  0.399932D+01 -0.245994D+01  0.573641D+00 -0.374676D+01
      2  -0.823397D+01  0.376043D+00  0.264768D+01  0.284051D+01  0.963597D+01
      3  -0.705611D+01 -0.437536D+01 -0.187738D+00 -0.341415D+01 -0.588920D+01
      4   0.237917D+02  0.187533D+02 -0.121315D+02  0.161877D+02  0.167691D+02
      5  -0.201142D+02 -0.123680D+02  0.158053D+02 -0.915720D+01 -0.990299D+01
      6  -0.128176D+02 -0.115017D+02  0.102669D+02 -0.101224D+02 -0.136964D+02
                96            97            98            99           100 
      1   0.194466D+01 -0.966611D+00  0.173232D+01 -0.251945D+01 -0.299008D+01
      2  -0.167931D+01  0.243943D+01  0.242239D+00 -0.528404D+01  0.512332D+01
      3  -0.265351D+00 -0.147282D+01 -0.197456D+01  0.780349D+01 -0.213324D+01
      4  -0.923615D+01 -0.100918D+02 -0.843110D+01  0.965144D+01 -0.201714D+02
      5   0.677078D+01  0.140155D+02  0.904661D+01 -0.120319D+02 -0.172709D+02
      6   0.102987D+02  0.980933D+01  0.104317D+02 -0.120066D+02 -0.170677D+02
               101           102           103           104           105 
      1  -0.204468D+02 -0.150072D+02 -0.239043D+02  0.293082D+01 -0.854902D+01
      2   0.495478D+01  0.325410D+01  0.565135D+01  0.904100D+01 -0.704633D+01
      3   0.154920D+02  0.117531D+02  0.182530D+02 -0.119718D+02  0.155953D+02
      4  -0.830957D+01 -0.168874D+01 -0.114028D+02  0.232076D+01 -0.155022D+02
      5  -0.116276D+02 -0.785349D+01 -0.120331D+02 -0.168171D+02  0.105683D+02
      6  -0.679856D+01  0.253595D+01 -0.102316D+02  0.694255D+01 -0.204451D+02
               106           107           108           109           110 
      1  -0.116131D+02 -0.387337D+01 -0.265973D+01 -0.236323D+02 -0.310469D+02
      2   0.257989D+01 -0.722209D+01 -0.599471D+01  0.174522D+02  0.185590D+02
      3   0.903320D+01  0.110955D+02  0.865444D+01  0.618016D+01  0.124879D+02
      4   0.259831D+01 -0.100211D+02  0.112449D+02 -0.293294D+02 -0.204446D+01
      5  -0.741266D+01  0.118576D+02  0.716364D+01 -0.114365D+02  0.818084D+01
      6   0.756643D+01 -0.143038D+02  0.144982D+02  0.647487D+01 -0.315525D+01
               111           112           113           114           115 
      1  -0.108807D+02 -0.399687D+02 -0.300378D+01  0.252284D+01 -0.118160D+02
      2   0.219103D+01  0.255583D+02 -0.792906D+01  0.619594D+01  0.134506D+01
      3   0.868970D+01  0.144105D+02  0.109328D+02 -0.871878D+01  0.104709D+02
      4   0.893028D+01 -0.101144D+02  0.176479D+02 -0.155422D+02  0.111780D+02
      5   0.894586D+00  0.966795D+01 -0.140862D+02  0.152184D+02 -0.288002D+01
      6   0.426538D+00 -0.476477D+01  0.907360D+01 -0.905871D+01  0.354952D+01
               116           117           118           119           120 
      1   0.246596D+01  0.600370D+01 -0.537205D-01  0.184623D+01 -0.412054D+00
      2   0.803551D+01 -0.664175D+01  0.397955D+01 -0.269517D+01 -0.575474D+00
      3  -0.105015D+02  0.638050D+00 -0.392583D+01  0.848937D+00  0.987528D+00
      4  -0.166815D+02  0.167611D+02 -0.626511D-01  0.104801D+02 -0.104741D+01
      5   0.176339D+02  0.219415D+02  0.542810D+00  0.363773D+00  0.303454D+01
      6  -0.813697D+01 -0.880969D+01  0.151960D+00 -0.380307D+00  0.179435D-01
               121           122           123           124           125 
      1   0.522696D+00 -0.303273D+02 -0.448535D+00 -0.613226D+00  0.377129D+00
      2   0.129054D+01  0.554164D+02 -0.529351D+00 -0.895799D+00 -0.193831D+01
      3  -0.181323D+01 -0.250891D+02  0.977886D+00  0.150903D+01  0.156118D+01
      4   0.828765D+01  0.138395D+01  0.299230D+00 -0.186066D+01 -0.643265D+00
      5   0.194063D+00  0.132302D+01  0.343817D+00  0.224613D+01  0.118811D+00
      6   0.459572D+00  0.533089D+01  0.678504D+01  0.787392D+00  0.864281D+01
               126           127           128           129           130 
      1  -0.431196D+01 -0.185929D+00  0.185873D+01  0.700861D+01  0.239970D+01
      2   0.391682D+01 -0.730507D+01  0.339800D+01  0.807537D+01  0.166918D+01
      3   0.395133D+00  0.749100D+01 -0.525673D+01 -0.150840D+02 -0.406889D+01
      4   0.300294D+00 -0.484801D+01  0.371200D+01  0.358074D+01  0.416065D+01
      5   0.120063D+01 -0.882823D+01  0.434862D+01  0.125670D+02  0.412746D+01
      6   0.569918D+00  0.531863D+01 -0.602616D+01 -0.789791D+01 -0.592360D+01
               131           132           133           134           135 
      1  -0.622684D+01 -0.953549D+01  0.435305D+01 -0.674478D+01 -0.176264D+02
      2  -0.456022D-01 -0.366450D+01  0.547331D+01 -0.449882D+01 -0.159982D+02
      3   0.627245D+01  0.132000D+02 -0.982636D+01  0.112436D+02  0.336246D+02
      4  -0.367514D+01 -0.349139D+01  0.312160D+01 -0.280606D+01 -0.461109D+01
      5  -0.507665D+01 -0.534304D+01  0.105808D+02 -0.529357D+01 -0.126773D+02
      6   0.112112D+02  0.133052D+02 -0.628387D+01  0.101605D+02  0.155715D+02
               136           137           138           139           140 
      1   0.154576D+01  0.171132D+01 -0.632228D+01  0.187979D+01 -0.166110D+01
      2  -0.109656D+02  0.148818D+01 -0.114588D+02  0.237111D+01  0.539493D+00
      3   0.941985D+01 -0.319950D+01  0.177811D+02 -0.425091D+01  0.112160D+01
      4   0.819393D+00  0.385450D+01 -0.236103D+00  0.367431D+01 -0.694882D+00
      5   0.192207D+02 -0.212075D+01  0.176095D+02 -0.388127D+01  0.250851D+01
      6  -0.257390D+01  0.409296D+01 -0.357337D+01  0.308278D+01 -0.395998D+01
               141           142           143           144           145 
      1   0.224589D+01 -0.249073D+01  0.808873D+00 -0.898460D+01 -0.791472D+01
      2   0.159185D+01 -0.809206D+01 -0.255991D+00 -0.123682D+02  0.162413D+01
      3  -0.383773D+01  0.105828D+02 -0.552882D+00  0.213528D+02  0.629059D+01
      4   0.124450D+01  0.360215D+00  0.151740D+01 -0.632652D+00  0.209098D+01
      5  -0.430336D+01  0.140077D+02 -0.219339D+01  0.145216D+02 -0.869164D+01
      6   0.587026D+01 -0.263261D+01  0.464330D+01 -0.180739D+01  0.664744D+01
               146           147           148           149           150 
      1   0.840611D+01  0.109136D+02  0.869844D+01 -0.864309D+01 -0.657955D+01
      2  -0.242593D+01  0.328233D+01 -0.341160D+01  0.335832D+01 -0.768106D+00
      3  -0.598019D+01 -0.141959D+02 -0.528684D+01  0.528477D+01  0.734765D+01
      4   0.461128D+00 -0.896459D+00  0.237359D+01  0.103084D+01  0.300204D+01
      5   0.401018D+01  0.188778D+01  0.568725D+01 -0.584877D+00 -0.749625D+00
      6  -0.581537D+01 -0.596772D+01 -0.380285D+01  0.713965D+01  0.933274D+01
               151           152           153           154           155 
      1   0.722967D+01 -0.587423D+01 -0.112585D+02  0.285841D+02  0.103328D+02
      2   0.131340D+01  0.478627D+00 -0.291625D+01 -0.166756D+02 -0.363533D+01
      3  -0.854308D+01  0.539560D+01  0.141747D+02 -0.119085D+02 -0.669747D+01
      4  -0.329118D+00  0.143111D+01  0.834770D-01  0.196328D+02  0.148376D+02
      5   0.566453D+01 -0.237997D+01 -0.279036D+01  0.287097D+02  0.129297D+02
      6  -0.530619D+01  0.815598D+01  0.599630D+01  0.125275D+02  0.101456D+02
               156           157           158           159           160 
      1   0.648338D+01  0.122423D+02  0.420338D+01  0.169964D+01  0.333931D+00
      2  -0.910815D+01 -0.444626D+01  0.339039D+00 -0.281425D+01 -0.398931D+01
      3   0.262477D+01 -0.779602D+01 -0.454241D+01  0.111461D+01  0.365538D+01
      4   0.740711D+01  0.167588D+02  0.147828D+02  0.830884D+01  0.213709D+01
      5   0.184617D+02  0.153109D+02  0.118294D+02  0.907591D+01  0.104402D+02
      6   0.618727D+01  0.106718D+02  0.100310D+02  0.932201D+01  0.373111D+01
               161           162           163           164           165 
      1  -0.915338D-01  0.137791D+01  0.173555D+01 -0.422827D+00  0.330873D+01
      2  -0.114563D+01 -0.420409D+01 -0.350788D+01  0.193073D+01 -0.436728D+01
      3   0.123716D+01  0.282618D+01  0.177233D+01 -0.150790D+01  0.105856D+01
      4   0.291403D+01  0.336230D+01 -0.185242D+01  0.556573D+01 -0.308861D+01
      5   0.425412D+01  0.760836D+01  0.768431D+01 -0.368185D+01  0.934343D+01
      6   0.569349D+01  0.288134D+01 -0.251870D+01  0.304599D+01 -0.245254D+01
               166           167           168           169           170 
      1  -0.103352D+00 -0.821238D+01  0.109312D+02  0.102707D+01  0.660046D+01
      2   0.330339D+01 -0.446684D+00  0.809432D+01 -0.484430D+01  0.548683D+01
      3  -0.320004D+01  0.865907D+01 -0.190255D+02  0.381724D+01 -0.120873D+02
      4   0.795301D+01 -0.135078D+02  0.109726D+02 -0.319977D+01  0.698746D+01
      5  -0.883396D+01  0.114721D+02 -0.161662D+02  0.952926D+01 -0.855447D+01
      6   0.681023D+01 -0.217813D+02  0.205777D+02 -0.398525D+01  0.144542D+02
               171           172           173           174           175 
      1  -0.121685D+02  0.237068D+01  0.113810D+01 -0.356633D+01  0.168654D+01
      2  -0.120119D+02 -0.321080D+01  0.569387D-01  0.304236D+01 -0.191835D+01
      3   0.241804D+02  0.840123D+00 -0.119504D+01  0.523975D+00  0.231806D+00
      4  -0.811386D+01  0.815964D+00  0.175826D+01  0.279270D+01  0.560519D+01
      5   0.156530D+02 -0.360430D+01  0.146169D+01  0.588392D+01  0.228531D+01
      6  -0.162810D+02  0.196173D+01 -0.341574D+00 -0.155216D+01 -0.165996D+01
               176           177           178           179           180 
      1  -0.201382D+01 -0.305295D+01 -0.945852D+01 -0.182370D+01 -0.669069D+01
      2   0.367680D+01  0.172791D+01  0.563772D+01  0.157698D+01 -0.495701D+01
      3  -0.166298D+01  0.132504D+01  0.382081D+01  0.246719D+00  0.116477D+02
      4  -0.843518D+01 -0.570512D+01  0.752365D+01 -0.906895D+01 -0.117604D+02
      5  -0.559807D+01 -0.101909D+02  0.123477D+02 -0.125261D+02 -0.345514D+02
      6   0.536769D+01  0.981044D+01 -0.437278D+01  0.100357D+02  0.175090D+02
               181           182           183           184           185 
      1   0.975806D+01 -0.436329D+01  0.394002D+01 -0.555061D+01 -0.297317D+01
      2  -0.215452D+01 -0.524308D+00 -0.704326D+00 -0.570111D+01  0.238028D+02
      3  -0.760354D+01  0.488760D+01 -0.323569D+01  0.112517D+02 -0.208297D+02
      4  -0.787769D+01  0.119316D+02 -0.529267D+01  0.224611D+02 -0.385193D+02
      5   0.437786D+01 -0.414632D+01  0.389942D+01 -0.624737D+01  0.122697D+02
      6  -0.307249D+01  0.139416D+01 -0.900546D+00  0.405676D+01 -0.997767D+01
               186           187           188           189           190 
      1   0.150834D+01  0.856717D+01  0.695748D+00 -0.178429D+01  0.706575D+02
      2  -0.717959D+01 -0.113639D+01 -0.861026D+01  0.329320D+01 -0.385432D+02
      3   0.567124D+01 -0.743078D+01  0.791451D+01 -0.150890D+01 -0.321143D+02
      4   0.131382D+02 -0.126928D+02  0.186755D+02 -0.120740D+02  0.807200D+01
      5  -0.119994D+02  0.800955D+01 -0.122132D+02  0.988898D+01 -0.901353D+00
      6   0.919164D+01 -0.490040D+01  0.998384D+01 -0.806521D+01 -0.153560D+01
               191           192           193           194           195 
      1   0.170490D+02  0.199461D+01  0.360615D+02  0.124730D+02  0.513678D+00
      2  -0.110310D+02 -0.892745D+00 -0.199696D+02 -0.522744D+01 -0.852669D+00
      3  -0.601796D+01 -0.110187D+01 -0.160919D+02 -0.724552D+01  0.338991D+00
      4   0.116265D+02  0.724662D-01  0.140287D+02  0.104139D+02  0.207637D+01
      5  -0.583427D+00  0.864890D+01 -0.183002D+01  0.127308D+01  0.472805D+01
      6  -0.752170D+00 -0.105118D+01 -0.799742D+00 -0.165047D+01  0.161482D+01
               196           197           198           199           200 
      1   0.649768D+01  0.433977D+00  0.596109D+01  0.248441D+02 -0.402516D+01
      2  -0.291000D+01 -0.147125D+01 -0.388250D+01 -0.128105D+02  0.267533D+00
      3  -0.358767D+01  0.103728D+01 -0.207860D+01 -0.120336D+02  0.375763D+01
      4  -0.824502D+00  0.299764D+01  0.406670D+00 -0.151821D+02  0.100122D+02
      5   0.105035D+02  0.126546D+01 -0.752922D-01  0.134246D+02 -0.249219D+01
      6  -0.238733D+00  0.198688D+01  0.832898D+00 -0.506424D+01  0.777958D+00
               201           202           203           204           205 
      1   0.106190D+02 -0.697722D+00  0.249966D+01  0.508942D+00  0.166496D+02
      2  -0.581681D+01 -0.121017D+01 -0.673971D+00 -0.883324D+00 -0.100437D+02
      3  -0.480218D+01  0.190789D+01 -0.182569D+01  0.374382D+00 -0.660585D+01
      4  -0.643923D+01  0.797315D+01 -0.328406D+01  0.332962D+01 -0.998109D+01
      5   0.114707D+02 -0.590315D+00  0.328800D+01 -0.213830D+01  0.140846D+02
      6  -0.454342D+01  0.187434D+01 -0.148438D+01  0.378505D+01 -0.661143D+01
               206           207           208           209           210 
      1   0.216393D-02  0.773871D+01 -0.147609D+01  0.498037D+01 -0.302256D+01
      2  -0.213413D+01 -0.679078D+01  0.514933D+01 -0.910727D+01  0.419017D+01
      3   0.213196D+01 -0.947930D+00 -0.367324D+01  0.412690D+01 -0.116761D+01
      4   0.715207D+01 -0.975378D+01 -0.697194D+01  0.127780D+02 -0.505204D+01
      5  -0.544338D+01  0.133254D+02  0.232060D+01 -0.404870D+01  0.439267D+01
      6   0.377770D+01 -0.612825D+01 -0.533024D+01  0.732773D+01 -0.383508D+01
               211           212           213           214           215 
      1   0.368720D+01 -0.312190D+02  0.130110D+02 -0.400840D+01  0.207465D+02
      2  -0.716540D+01  0.475797D+02 -0.169226D+02  0.577908D+01 -0.252634D+02
      3   0.347820D+01 -0.163607D+02  0.391156D+01 -0.177069D+01  0.451686D+01
      4   0.830825D+01 -0.122688D+02  0.608880D+01 -0.493000D+01  0.883161D+01
      5  -0.228097D+01  0.494418D+01 -0.267548D+01  0.375441D+01 -0.494617D+01
      6   0.566026D+01 -0.261105D+02  0.178579D+02 -0.432503D+01  0.263243D+02
               216           217           218           219           220 
      1  -0.160685D+02 -0.115456D+01 -0.504157D+01 -0.324386D+01 -0.323296D+01
      2   0.138245D+02  0.338394D+01  0.109165D+02  0.535594D+01  0.656222D+01
      3   0.224404D+01 -0.222938D+01 -0.587493D+01 -0.211208D+01 -0.332926D+01
      4  -0.491737D+01  0.795424D+01  0.862835D+01  0.535733D+01  0.597288D+01
      5   0.447396D+01  0.303070D+01  0.208736D+01  0.387060D+01  0.134819D+01
      6  -0.206484D+02  0.590032D+01  0.594802D+01  0.479924D+01  0.535058D+01
               221           222           223           224           225 
      1  -0.165956D+02 -0.690078D+01 -0.614251D+01 -0.126033D+02 -0.118943D+02
      2   0.257753D+02  0.101402D+02  0.580779D+01  0.175794D+02  0.116252D+02
      3  -0.917972D+01 -0.323947D+01  0.334724D+00 -0.497613D+01  0.269165D+00
      4   0.689721D+01  0.441854D+01  0.649941D+01  0.549501D+01  0.498157D+01
      5   0.233812D+01  0.110260D+01  0.364927D+01  0.173415D+01  0.295892D+01
      6   0.117001D+02  0.129877D+02  0.633968D+01  0.180726D+02  0.173237D+02
               226           227           228           229           230 
      1   0.104911D+02 -0.706821D+00  0.538278D+01 -0.531784D+01 -0.213411D+01
      2  -0.813106D+01  0.451902D+00 -0.387263D+01  0.368745D+01  0.309549D+01
      3  -0.236001D+01  0.254919D+00 -0.151015D+01  0.163039D+01 -0.961385D+00
      4   0.171499D+01  0.130108D+01  0.293707D+01  0.215597D+01  0.357421D+01
      5   0.637629D+01  0.157527D+01  0.126969D+02  0.558108D+00  0.337783D+01
      6   0.249112D+01  0.596741D+00  0.377723D+01  0.128628D+01  0.706121D+00
               231           232           233           234           235 
      1  -0.265609D+00  0.136724D+02  0.146080D+01  0.579120D+01  0.703245D+02
      2   0.110342D+01 -0.831597D+01  0.128368D+01 -0.117398D+02 -0.408354D+02
      3  -0.837815D+00 -0.535646D+01 -0.274448D+01  0.594859D+01 -0.294891D+02
      4   0.392420D+01  0.913262D+01  0.934120D+01  0.592905D+01  0.704060D+01
      5  -0.589595D-01  0.183301D+02  0.414585D+01  0.387574D+02 -0.272736D+02
      6   0.398877D+01  0.624829D+01  0.510655D+01  0.173176D+02 -0.449025D+01
               236           237           238           239           240 
      1  -0.693529D+01 -0.198000D+02 -0.229239D+02  0.534158D+01  0.616433D+01
      2   0.598474D+01  0.134038D+02  0.141900D+02 -0.179309D+01 -0.548722D+01
      3   0.950551D+00  0.639613D+01  0.873391D+01 -0.354849D+01 -0.677108D+00
      4   0.895159D+01 -0.155139D+01  0.647753D+01 -0.285999D+01 -0.411055D+01
      5   0.235725D+01  0.183777D+02  0.842961D+01 -0.517198D+01 -0.650180D+01
      6  -0.807412D+00  0.406038D+01 -0.611478D+00 -0.317635D+00  0.720056D+00
               241           242           243           244           245 
      1  -0.268282D+02  0.240870D+01  0.137439D+02  0.166886D+01  0.578165D+01
      2   0.182848D+02 -0.379181D+01 -0.126949D+02  0.116277D+01 -0.465269D+01
      3   0.854345D+01  0.138311D+01 -0.104904D+01 -0.283162D+01 -0.112896D+01
      4  -0.399460D+01 -0.692066D+01  0.110930D+01  0.236645D+01  0.448961D+01
      5   0.235042D+02 -0.176995D+01 -0.140658D+02 -0.266411D+01 -0.595000D+00
      6   0.418818D+01  0.227318D+01 -0.153761D+01 -0.211287D+01  0.525136D+00
               246           247           248           249           250 
      1  -0.325494D+01  0.525543D+01 -0.217543D+02  0.493445D+01 -0.490292D+01
      2   0.184810D+01  0.351764D+01  0.463555D+02 -0.714873D+01  0.178320D+01
      3   0.140685D+01 -0.877307D+01 -0.246012D+02  0.221428D+01  0.311972D+01
      4  -0.120392D+01  0.171757D+02  0.495835D+02 -0.863397D+01 -0.456077D+01
      5   0.205782D+01 -0.229326D+01 -0.908773D+01  0.776571D+01  0.552648D+01
      6  -0.481128D+00 -0.279342D+01 -0.135566D+02  0.966378D+01  0.259188D+01
               251           252 
      1   0.528518D+01 -0.235980D+01
      2  -0.773657D+01  0.333005D+01
      3   0.245139D+01 -0.970251D+00
      4  -0.107269D+02  0.688144D+01
      5   0.702687D+01 -0.238873D+01
      6   0.105604D+02 -0.465156D+01
 Leave Link  716 at Thu Jul 22 19:50:57 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129597D+03  0.420027D-01  0.632008D+00
      2   0.420027D-01  0.115432D+03 -0.869546D-01
      3   0.632008D+00 -0.869546D-01  0.110934D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.270925D+01  0.879808D+00  0.290764D+01
      2   0.341443D+01 -0.101030D+01  0.718928D+01
      3   0.415122D+01  0.266920D+01 -0.169524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.432166D+01 -0.222516D+02  0.117274D+02
      2  -0.688762D+01  0.102218D+02 -0.383377D+01
      3   0.112093D+02  0.120298D+02 -0.789360D+01
      4  -0.309763D+02 -0.100080D+02  0.291783D+01
      5   0.186081D+02  0.195901D+01  0.179850D+02
      6   0.728929D+00  0.426277D+01 -0.410367D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.106011D+01 -0.305508D+01  0.105679D+01 -0.352915D+01  0.216698D+00
      2  -0.305508D+01 -0.720052D+00  0.129954D+01  0.216698D+00  0.327244D+01
      3   0.105679D+01  0.129954D+01  0.286550D+01  0.182775D+01 -0.138744D+01
                 6             7             8             9            10 
      1   0.182775D+01  0.523618D+00  0.226257D+01  0.447999D+01 -0.571118D-01
      2  -0.138744D+01  0.226257D+01 -0.224686D+01 -0.231839D+01  0.394842D+01
      3  -0.160988D+01  0.447999D+01 -0.231839D+01 -0.472735D+00  0.158999D+01
                11            12            13            14            15 
      1   0.394842D+01  0.158999D+01  0.508898D+01  0.780911D+00  0.178136D+00
      2   0.167503D+01 -0.275637D+00  0.780911D+00 -0.544980D+01  0.569515D+00
      3  -0.275637D+00 -0.208181D+01  0.178136D+00  0.569515D+00  0.118393D+01
                16            17            18            19            20 
      1   0.285179D+01 -0.492408D-01 -0.245901D+01  0.100574D+01  0.172595D+01
      2  -0.492408D-01  0.178372D+01  0.130575D+01  0.172595D+01  0.728938D+00
      3  -0.245901D+01  0.130575D+01 -0.641738D+01 -0.760947D+00 -0.336948D+01
                21            22            23            24            25 
      1  -0.760947D+00  0.246006D+01  0.601121D+00 -0.333868D+01 -0.531990D+00
      2  -0.336948D+01  0.601121D+00 -0.423289D+01  0.155793D+01 -0.408208D+01
      3  -0.742476D+00 -0.333868D+01  0.155793D+01 -0.245824D+01 -0.776319D+00
                26            27            28            29            30 
      1  -0.408208D+01 -0.776319D+00 -0.310088D+01 -0.264286D+01  0.907140D+00
      2   0.219495D+01 -0.430317D+01 -0.264286D+01 -0.233717D+01  0.491250D+01
      3  -0.430317D+01 -0.421363D+00  0.907140D+00  0.491250D+01 -0.144650D+01
                31            32            33            34            35 
      1  -0.273729D+01 -0.197959D+01  0.516285D+01  0.770446D+00  0.574969D+01
      2  -0.197959D+01  0.168152D+01  0.693811D+00  0.574969D+01 -0.113524D+01
      3   0.516285D+01  0.693811D+00  0.323816D+01 -0.194114D+01  0.231787D+01
                36            37            38            39            40 
      1  -0.194114D+01  0.545806D+01  0.552628D+01  0.344095D+01  0.653905D+01
      2   0.231787D+01  0.552628D+01  0.192320D+01 -0.191215D+01  0.275165D+01
      3  -0.945686D+00  0.344095D+01 -0.191215D+01  0.823107D+00 -0.270890D+01
                41            42            43            44            45 
      1   0.275165D+01 -0.270890D+01  0.518615D+01 -0.220723D+01  0.453759D-01
      2  -0.349578D+01  0.320956D+01 -0.220723D+01  0.513627D+01 -0.302827D+01
      3   0.320956D+01 -0.276152D+01  0.453759D-01 -0.302827D+01 -0.249306D+01
                46            47            48            49            50 
      1  -0.466140D+01 -0.366036D+01 -0.293635D+01 -0.462062D+01 -0.166015D+00
      2  -0.366036D+01 -0.527333D+00 -0.119183D+00 -0.166015D+00  0.923449D+01
      3  -0.293635D+01 -0.119183D+00 -0.168494D+01 -0.193875D+00 -0.942751D+00
                51            52            53            54            55 
      1  -0.193875D+00 -0.643361D+01 -0.628307D+00 -0.508260D-01  0.184543D+01
      2  -0.942751D+00 -0.628307D+00 -0.833753D+00 -0.191142D+01 -0.296356D+00
      3  -0.308674D+01 -0.508260D-01 -0.191142D+01  0.397890D+01  0.385977D+01
                56            57            58            59            60 
      1  -0.296356D+00  0.385977D+01 -0.572947D+00 -0.193559D+01 -0.349447D+01
      2  -0.194178D+01 -0.362864D+01 -0.193559D+01 -0.155283D+01 -0.168285D+01
      3  -0.362864D+01  0.896565D+00 -0.349447D+01 -0.168285D+01  0.259510D+01
                61            62            63            64            65 
      1   0.284340D+01 -0.268079D+01  0.769840D+00 -0.300237D+01  0.182598D+01
      2  -0.268079D+01 -0.160921D+01  0.219064D+01  0.182598D+01 -0.132523D+01
      3   0.769840D+00  0.219064D+01 -0.299252D+00  0.181037D+01 -0.110232D+01
                66            67            68            69            70 
      1   0.181037D+01  0.182121D+01 -0.174882D+01 -0.128047D+01  0.316739D+01
      2  -0.110232D+01 -0.174882D+01  0.232000D+01  0.196224D+01 -0.190984D+01
      3  -0.184497D+01 -0.128047D+01  0.196224D+01  0.171014D+01 -0.321355D+01
                71            72            73            74            75 
      1  -0.190984D+01 -0.321355D+01  0.214116D+01 -0.409001D+01 -0.301842D+01
      2   0.275065D+01  0.252273D+01 -0.409001D+01 -0.205572D+01  0.646050D+00
      3   0.252273D+01  0.428733D+01 -0.301842D+01  0.646050D+00  0.239173D+01
                76            77            78            79            80 
      1  -0.596226D+01 -0.354873D+00  0.530469D+00 -0.399155D+01  0.215762D+00
      2  -0.354873D+00  0.685188D+01 -0.210920D+01  0.215762D+00 -0.241257D+01
      3   0.530469D+00 -0.210920D+01 -0.634743D+00  0.328490D+01  0.388839D-01
                81            82            83            84            85 
      1   0.328490D+01  0.641946D+00 -0.565125D+00  0.985695D+00 -0.854956D+00
      2   0.388839D-01 -0.565125D+00 -0.128310D+00 -0.620068D-02 -0.213689D+00
      3   0.492877D+01  0.985695D+00 -0.620068D-02  0.613448D+00  0.907086D-01
                86            87            88            89            90 
      1  -0.213689D+00  0.907086D-01  0.211291D+01  0.316690D+00  0.418702D+00
      2  -0.333073D+00  0.112088D+01  0.316690D+00  0.115520D+01 -0.127194D+01
      3   0.112088D+01 -0.116374D+01  0.418702D+00 -0.127194D+01  0.801924D+01
                91            92            93            94            95 
      1   0.605730D+01  0.325982D+01 -0.263896D+01  0.254686D+01  0.234145D+01
      2   0.325982D+01  0.307417D+01 -0.207402D+01  0.234145D+01  0.354342D+01
      3  -0.263896D+01 -0.207402D+01  0.231684D+01 -0.174781D+01 -0.169119D+01
                96            97            98            99           100 
      1  -0.174781D+01 -0.200816D+01 -0.173651D+01  0.233140D+01 -0.198509D+01
      2  -0.169119D+01 -0.173651D+01 -0.146445D+01  0.168962D+01 -0.493555D+01
      3   0.125668D+01  0.233140D+01  0.168962D+01 -0.255060D+01 -0.355972D+01
               101           102           103           104           105 
      1  -0.493555D+01 -0.355972D+01 -0.532559D+01 -0.192354D+01  0.133719D+01
      2  -0.117062D+01  0.988917D+00 -0.192354D+01  0.118557D+01 -0.431983D+01
      3   0.988917D+00  0.511262D+00  0.133719D+01 -0.431983D+01  0.313674D+01
               106           107           108           109           110 
      1  -0.287829D+01  0.147028D+01  0.561897D+00 -0.271816D+01 -0.478623D+01
      2   0.147028D+01 -0.334032D+01  0.275301D+01 -0.478623D+01 -0.863039D+00
      3   0.561897D+00  0.275301D+01  0.158475D+01 -0.224183D+01  0.142281D+01
               111           112           113           114           115 
      1  -0.224183D+01 -0.607892D+01 -0.278457D+01  0.180612D+01 -0.263125D+01
      2   0.142281D+01 -0.278457D+01  0.362415D+01 -0.272587D+01  0.158299D+01
      3   0.459481D+00  0.180612D+01 -0.272587D+01  0.276278D+01 -0.620611D+00
               116           117           118           119           120 
      1   0.158299D+01 -0.620611D+00  0.157220D+00 -0.104293D+01  0.493353D+00
      2  -0.336954D+01  0.348460D+01 -0.104293D+01  0.624091D+00 -0.149757D+00
      3   0.348460D+01  0.444103D+01  0.493353D+00 -0.149757D+00  0.156254D+00
               121           122           123           124           125 
      1  -0.157333D+01 -0.344428D+00  0.141611D+00  0.851599D+00  0.104853D+00
      2  -0.344428D+00 -0.111542D+02  0.121746D+00  0.104853D+00  0.345967D+00
      3   0.141611D+00  0.121746D+00 -0.793750D+00 -0.108296D+00 -0.116846D+01
               126           127           128           129           130 
      1  -0.108296D+00  0.218181D+01 -0.106595D+01 -0.205688D+01 -0.118335D+01
      2  -0.116846D+01 -0.106595D+01  0.131091D+01  0.131450D+01  0.108202D+01
      3  -0.573581D-01 -0.205688D+01  0.131450D+01  0.288373D+01  0.121813D+01
               131           132           133           134           135 
      1   0.108202D+01  0.121813D+01 -0.169513D+01  0.962360D+00  0.213920D+01
      2  -0.173810D+01 -0.176549D+01  0.962360D+00 -0.153936D+01 -0.233459D+01
      3  -0.176549D+01 -0.289665D+01  0.213920D+01 -0.233459D+01 -0.598559D+01
               136           137           138           139           140 
      1  -0.494959D+01  0.404981D+00 -0.330191D+01  0.947671D+00 -0.737092D+00
      2   0.404981D+00 -0.781792D+00  0.663258D+00 -0.737092D+00  0.680927D+00
      3  -0.330191D+01  0.663258D+00 -0.389671D+01  0.107454D+01 -0.768019D+00
               141           142           143           144           145 
      1   0.107454D+01 -0.218695D+01  0.481179D+00 -0.244609D+01 -0.361616D+01
      2  -0.768019D+00  0.481179D+00 -0.413637D+00  0.151707D+00  0.178883D+01
      3   0.984151D+00 -0.244609D+01  0.151707D+00 -0.409681D+01  0.125068D+01
               146           147           148           149           150 
      1   0.178883D+01  0.125068D+01  0.203728D+01 -0.105681D+01 -0.700657D+00
      2  -0.140051D+01 -0.100363D+01 -0.105681D+01  0.168335D+01  0.147514D+01
      3  -0.100363D+01 -0.256248D+01 -0.700657D+00  0.147514D+01  0.147034D+01
               151           152           153           154           155 
      1   0.133195D+01 -0.743675D+00 -0.135636D+01  0.659661D+01  0.307145D+01
      2  -0.743675D+00  0.124312D+01  0.946252D+00  0.307145D+01  0.228974D+01
      3  -0.135636D+01  0.946252D+00  0.224246D+01  0.281062D+01  0.111796D+01
               156           157           158           159           160 
      1   0.281062D+01  0.366115D+01  0.255275D+01  0.133333D+01  0.830149D+00
      2   0.111796D+01  0.255275D+01  0.250626D+01  0.168049D+01  0.324616D+00
      3   0.236859D+01  0.133333D+01  0.168049D+01  0.123311D+01  0.118479D+01
               161           162           163           164           165 
      1   0.324616D+00  0.118479D+01  0.105450D+01 -0.386291D+00  0.139068D+01
      2   0.603729D+00  0.548909D+00 -0.386291D+00  0.626361D+00 -0.464104D+00
      3   0.548909D+00  0.914773D+00  0.139068D+01 -0.464104D+00  0.833279D+00
               166           167           168           169           170 
      1  -0.114369D+01  0.134882D+01 -0.144986D+01  0.113079D+01 -0.734182D+00
      2   0.134882D+01 -0.407339D+01  0.340020D+01 -0.734182D+00  0.213258D+01
      3  -0.144986D+01  0.340020D+01 -0.473565D+01  0.117954D+01 -0.263717D+01
               171           172           173           174           175 
      1   0.117954D+01  0.183406D+00  0.214756D+00 -0.832538D+00  0.325447D-01
      2  -0.263717D+01  0.214756D+00  0.370929D-01  0.982620D-01  0.755414D+00
      3   0.466279D+01 -0.832538D+00  0.982620D-01  0.300366D+00  0.294954D+00
               176           177           178           179           180 
      1   0.755414D+00  0.294954D+00 -0.216799D+01  0.834640D+00  0.135796D+01
      2  -0.160531D+01 -0.115440D+01  0.834640D+00 -0.153473D+01 -0.227586D+01
      3  -0.115440D+01 -0.187229D+01  0.135796D+01 -0.227586D+01 -0.649850D+01
               181           182           183           184           185 
      1   0.166081D+01 -0.923693D+00  0.766195D+00 -0.216639D+01  0.318368D+01
      2  -0.923693D+00  0.879059D+00 -0.496912D+00  0.318368D+01 -0.669498D+01
      3   0.766195D+00 -0.496912D+00  0.264208D+00 -0.995848D+00  0.231874D+01
               186           187           188           189           190 
      1  -0.995848D+00  0.221562D+01 -0.171626D+01  0.117176D+01  0.940091D+01
      2   0.231874D+01 -0.171626D+01  0.329749D+01 -0.221211D+01  0.204419D+01
      3  -0.196301D+01  0.117176D+01 -0.221211D+01  0.170153D+01  0.303211D+00
               191           192           193           194           195 
      1   0.204419D+01  0.303211D+00  0.549026D+01  0.216106D+01 -0.126761D+00
      2   0.154837D+01  0.325146D-01  0.216106D+01  0.142437D+01  0.333012D+00
      3   0.325146D-01  0.794356D+00 -0.126761D+00  0.333012D+00  0.525296D+00
               196           197           198           199           200 
      1   0.106541D+01 -0.786017D-01  0.121432D+01 -0.456246D+01  0.106396D+01
      2  -0.786017D-01  0.514087D+00  0.393519D-01  0.106396D+01 -0.119655D+01
      3   0.121432D+01  0.393519D-01 -0.907051D-01 -0.214876D+01  0.411961D+00
               201           202           203           204           205 
      1  -0.214876D+01  0.690661D+00 -0.822582D+00  0.133389D+00 -0.348505D+01
      2   0.411961D+00 -0.822582D+00  0.173513D+00 -0.452968D+00  0.299049D+00
      3  -0.174475D+01  0.133389D+00 -0.452968D+00  0.359625D+00 -0.221604D+01
               206           207           208           209           210 
      1   0.299049D+00 -0.221604D+01 -0.126141D+01  0.135977D+01 -0.702728D+00
      2  -0.134000D+01  0.927677D+00  0.135977D+01 -0.180122D+01  0.108028D+01
      3   0.927677D+00 -0.249776D+01 -0.702728D+00  0.108028D+01 -0.422001D+00
               211           212           213           214           215 
      1   0.999488D+00 -0.143807D+01  0.787653D+00 -0.119814D+01  0.139812D+01
      2  -0.143807D+01  0.797246D+01 -0.318410D+01  0.139812D+01 -0.510263D+01
      3   0.787653D+00 -0.318410D+01  0.216745D+01 -0.573525D+00  0.361089D+01
               216           217           218           219           220 
      1  -0.573525D+00  0.168242D+01  0.940237D+00  0.118599D+01  0.743980D+00
      2   0.361089D+01  0.940237D+00  0.195369D+01  0.122769D+01  0.113795D+01
      3  -0.305746D+01  0.118599D+01  0.122769D+01  0.126365D+01  0.829256D+00
               221           222           223           224           225 
      1   0.113795D+01  0.829256D+00  0.162436D+01  0.115695D+01  0.126697D+01
      2   0.437481D+01  0.193557D+01  0.115695D+01  0.330352D+01  0.281827D+01
      3   0.193557D+01  0.182402D+01  0.126697D+01  0.281827D+01  0.339951D+01
               226           227           228           229           230 
      1  -0.146244D+01  0.179280D+00 -0.993076D+00  0.822257D+00 -0.292163D+00
      2   0.179280D+00 -0.371015D-01 -0.214470D+00 -0.292163D+00 -0.666807D+00
      3  -0.993076D+00 -0.214470D+00 -0.137302D+01 -0.987308D-01 -0.613856D+00
               231           232           233           234           235 
      1  -0.987308D-01 -0.281706D+01 -0.965919D+00 -0.231270D+01 -0.953728D+01
      2  -0.613856D+00 -0.965919D+00 -0.139613D+01 -0.663668D+00  0.609997D+00
      3   0.465039D-01 -0.231270D+01 -0.663668D+00 -0.633574D+01  0.291652D+01
               236           237           238           239           240 
      1   0.609997D+00  0.291652D+01  0.356052D+01 -0.103436D+01 -0.901969D+00
      2  -0.101140D+01 -0.307840D+00 -0.103436D+01  0.299161D+00  0.713838D+00
      3  -0.307840D+00 -0.186522D+01 -0.901969D+00  0.713838D+00  0.784559D+00
               241           242           243           244           245 
      1   0.443763D+01 -0.810245D-01 -0.265686D+01 -0.213075D+00 -0.513469D+00
      2  -0.810245D-01  0.107874D+01  0.217925D+00 -0.513469D+00  0.627198D+00
      3  -0.265686D+01  0.217925D+00  0.153463D+01  0.424164D+00 -0.919244D-01
               246           247           248           249           250 
      1   0.424164D+00 -0.169347D+01 -0.208133D+01  0.291938D+00  0.108194D+01
      2  -0.919244D-01 -0.208133D+01 -0.983119D+01  0.170530D+01  0.453909D+00
      3  -0.774964D-01  0.291938D+00  0.170530D+01 -0.130237D+01 -0.675316D+00
               251           252 
      1   0.453909D+00 -0.675316D+00
      2   0.219839D+01 -0.143904D+01
      3  -0.143904D+01  0.524283D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.477569D+01 -0.356960D+01 -0.339967D+01 -0.403000D+01  0.687161D+01
      2  -0.336171D+01 -0.229772D+01 -0.655230D+01 -0.296834D+01  0.322466D+01
      3  -0.866382D+01 -0.105486D+02  0.620561D+01 -0.374108D+01  0.711465D+01
                 6             7             8             9            10 
      1   0.999792D+00 -0.477573D+01  0.583683D+01 -0.294749D+00  0.457801D+01
      2   0.406917D+01 -0.154238D+02  0.539919D+01  0.174033D+00 -0.409806D+01
      3  -0.905066D-01  0.779232D+01 -0.608292D+00  0.517006D+00  0.873935D+01
                11            12            13            14            15 
      1   0.249596D+01 -0.142482D+01  0.210488D+01 -0.391990D+01 -0.973885D+00
      2  -0.132133D+01  0.469527D+01 -0.200415D+01 -0.250092D+01 -0.202627D+01
      3  -0.431969D+01 -0.250878D+01  0.303695D+01 -0.121137D+02  0.143880D+01
                16            17            18            19            20 
      1  -0.611243D+00  0.623061D+01 -0.479630D+01  0.216263D+01  0.107580D+02
      2   0.842808D+00 -0.232714D+01  0.153269D+02 -0.205849D+01  0.141039D+01
      3  -0.284376D+01  0.332698D+01  0.214758D+01  0.357522D+01  0.465047D+01
                21            22            23            24            25 
      1   0.285985D+01  0.105119D+02 -0.338014D+01  0.561134D+01  0.426679D+01
      2   0.198680D+01  0.167508D+01  0.538334D-01 -0.475517D+00 -0.205101D+01
      3  -0.260418D+01  0.114756D+02  0.143009D+00 -0.858767D+01 -0.299113D+01
                26            27            28            29            30 
      1   0.146675D+02  0.393730D+01  0.117115D+01 -0.785430D+01 -0.551510D+01
      2  -0.143339D+01  0.163401D+01 -0.146911D+00  0.408847D+01  0.138029D+01
      3  -0.100093D+02 -0.269401D+01  0.243960D+01 -0.507038D+01 -0.225320D+01
                31            32            33            34            35 
      1  -0.736018D+01 -0.282347D+01 -0.808992D+01 -0.382333D+01 -0.937921D+00
      2   0.407604D+01  0.109991D+00  0.923830D+01 -0.538756D+01  0.106338D+02
      3   0.886555D+00 -0.388814D+01  0.638088D+01 -0.476472D+01  0.843107D+01
                36            37            38            39            40 
      1  -0.335948D+01  0.489866D+01  0.422564D+00 -0.125561D-01  0.224385D+01
      2  -0.220545D+01  0.548778D+01 -0.499038D+01  0.379804D+01 -0.683494D+01
      3  -0.402645D+01 -0.136385D+02 -0.117687D+02  0.210913D+01 -0.326984D+01
                41            42            43            44            45 
      1   0.110469D+01 -0.403110D+01 -0.997343D+00  0.473400D+01 -0.389777D+01
      2   0.728676D+01 -0.713291D+01 -0.718378D+01 -0.726437D+01 -0.676145D+01
      3   0.436874D+01 -0.561590D+01  0.108513D+01 -0.974966D+01  0.737641D+01
                46            47            48            49            50 
      1  -0.619860D+01 -0.797161D+00 -0.118361D+01  0.125761D+00 -0.176318D+00
      2  -0.208956D+01 -0.124767D+01  0.422920D+00 -0.452187D+00  0.257848D+00
      3   0.554067D+01  0.330193D+01  0.328331D+01  0.112594D+02  0.333763D+01
                51            52            53            54            55 
      1  -0.759799D+01 -0.285743D+01 -0.194781D+01  0.974395D+01  0.273549D+01
      2   0.220963D+01 -0.572865D+01 -0.340553D+00 -0.269249D+01  0.555492D+01
      3   0.658332D+00  0.731875D+01  0.567963D+00 -0.821163D+00 -0.540483D+00
                56            57            58            59            60 
      1   0.615587D+01  0.105250D+02  0.253799D+01  0.288751D+01  0.520734D+01
      2  -0.229917D+01  0.144180D+02 -0.240073D+01 -0.739108D+01 -0.112599D+02
      3  -0.142273D+01 -0.251249D+01  0.269389D+01  0.134499D+01  0.181442D+01
                61            62            63            64            65 
      1   0.911261D+01  0.854869D+01 -0.795666D+01 -0.177076D+01  0.396398D+00
      2   0.585919D+01 -0.780828D+01  0.824297D+00 -0.199394D+01  0.163501D+01
      3  -0.123690D+01  0.168898D+01  0.103537D+00 -0.118809D+01 -0.187981D+01
                66            67            68            69            70 
      1   0.288506D+01  0.147637D+01 -0.115056D+01 -0.312640D+01  0.393418D+01
      2   0.480782D+01  0.132295D+01 -0.358940D+01 -0.388512D+01  0.306587D+01
      3   0.211757D+00  0.176464D+01  0.248834D+01  0.139826D+01  0.185397D+01
                71            72            73            74            75 
      1   0.242944D+00 -0.613537D+01 -0.611433D+01 -0.581640D+00  0.367662D+01
      2  -0.424935D+01 -0.847135D+01  0.106540D+02 -0.870881D-01 -0.543908D+01
      3   0.447867D+01  0.185372D+00 -0.180534D+02 -0.170853D+01  0.650795D+01
                76            77            78            79            80 
      1  -0.970311D-01 -0.291715D+01 -0.230364D+01  0.568136D+01  0.179576D+01
      2  -0.115031D+00  0.705571D+01  0.141810D+01 -0.134373D+02 -0.156406D+01
      3   0.108048D+02  0.245918D+02 -0.832162D+01  0.649018D+01 -0.778731D+01
                81            82            83            84            85 
      1   0.762167D+01  0.462331D+00 -0.231377D+00  0.707154D+00 -0.171141D+00
      2  -0.175405D+02 -0.358033D+01  0.882543D-01 -0.156909D+01  0.383865D+00
      3  -0.452153D+01 -0.202031D+01 -0.308136D+00 -0.405010D+00  0.240561D+01
                86            87            88            89            90 
      1   0.514893D+00 -0.722284D+00  0.106705D+01  0.305616D+01  0.469981D+01
      2  -0.164462D+01  0.155045D+01 -0.711415D+01  0.138615D+01 -0.149047D+02
      3   0.538530D+00  0.196821D+01 -0.147695D+01  0.206684D+01 -0.146881D+01
                91            92            93            94            95 
      1  -0.454012D+00 -0.176685D+01 -0.196252D+01 -0.498381D+00 -0.277487D+01
      2   0.431443D+01  0.866777D+00  0.255834D+01  0.181928D+01  0.747486D+00
      3   0.552623D+01 -0.263085D+01 -0.761631D+00  0.339219D+01 -0.172338D+01
                96            97            98            99           100 
      1  -0.168583D+01 -0.104182D+01  0.180285D+01  0.256787D+01 -0.105072D+02
      2   0.823939D+00 -0.169675D+01 -0.458661D+00 -0.148113D+01 -0.259564D+01
      3  -0.450774D+00 -0.200492D+01  0.173439D+00  0.124647D+01  0.930518D+01
               101           102           103           104           105 
      1  -0.192474D+01  0.185492D+01 -0.553582D+01  0.235920D+01 -0.138962D+02
      2   0.125284D+02  0.125722D+02  0.146275D+02 -0.478067D+01  0.346219D+01
      3  -0.374135D+00 -0.273828D+01  0.489162D+01 -0.235229D+01  0.882068D+01
               106           107           108           109           110 
      1   0.391343D+01 -0.643393D+01  0.646333D+01 -0.866576D+00  0.181741D+01
      2   0.626481D+01  0.193154D+01  0.112968D+01 -0.705150D+01  0.291263D+01
      3  -0.367984D+01  0.669186D+01 -0.509255D+01  0.195406D+02  0.848670D+01
               111           112           113           114           115 
      1  -0.236872D+00  0.271769D+01 -0.450847D+01  0.317790D+01 -0.255124D+01
      2   0.183667D+01  0.265129D+01 -0.904539D+01  0.108356D+02 -0.687441D+01
      3  -0.213377D+01  0.183734D+02 -0.986157D+01  0.645943D+01 -0.188017D+01
               116           117           118           119           120 
      1   0.800212D+01  0.594382D+01  0.125176D+01 -0.207160D+00 -0.295789D-01
      2   0.130376D+02  0.166106D+02 -0.429820D+00 -0.204566D+00  0.105312D+01
      3   0.732132D+01 -0.108470D+02 -0.170561D+00 -0.568119D+00 -0.554098D+00
               121           122           123           124           125 
      1   0.431732D+00  0.267903D+01 -0.571717D+01  0.202182D+00 -0.401299D+00
      2  -0.740010D-02 -0.707472D+00  0.354742D+00 -0.153412D+01  0.183444D+00
      3   0.762325D+01 -0.133589D+01 -0.185944D+00 -0.150878D+01 -0.252314D+00
               126           127           128           129           130 
      1  -0.227991D-01  0.232398D+01 -0.433240D+01 -0.194562D+01 -0.273142D+01
      2  -0.800460D-02  0.765802D+01 -0.289389D+01 -0.294507D+01 -0.414944D+01
      3   0.648609D-02 -0.164108D+01 -0.606770D+00  0.760617D+00  0.249067D+01
               131           132           133           134           135 
      1   0.416740D+01  0.889219D+00 -0.193816D+01  0.447719D+01  0.287905D+01
      2   0.267561D+01  0.255292D+01 -0.651813D+01  0.251086D+01  0.291300D+01
      3  -0.175553D+00 -0.225157D+00  0.141977D+01  0.588085D+00 -0.657594D+00
               136           137           138           139           140 
      1  -0.187077D+01  0.437773D+01 -0.259260D+01  0.201088D+01 -0.244643D+01
      2  -0.154984D+02  0.107206D+01 -0.473800D+01  0.306422D+01 -0.166426D+01
      3   0.122729D+01 -0.285177D+01  0.127112D+01  0.585478D+00  0.633122D+00
               141           142           143           144           145 
      1   0.116343D+00 -0.171412D+01  0.277139D+01 -0.965116D+00  0.429071D+01
      2   0.223738D+01 -0.709324D+01  0.988318D+00 -0.424419D+01  0.145522D+02
      3  -0.297294D+00  0.278172D+00 -0.187512D+01  0.918866D+00 -0.566322D+01
               146           147           148           149           150 
      1  -0.493758D+01 -0.524409D+00 -0.374226D+01  0.486033D+01  0.852779D+00
      2  -0.617683D+01 -0.479779D+01 -0.721817D+01  0.525351D+01  0.309338D+01
      3   0.169022D+01  0.168885D+01  0.431560D+01 -0.266558D+01 -0.224738D+01
               151           152           153           154           155 
      1  -0.136250D+01  0.343734D+01  0.990234D+00  0.639854D+01  0.568040D+01
      2  -0.729216D+01  0.341367D+01  0.523566D+01 -0.890903D+01 -0.415637D+01
      3   0.227408D+01 -0.121024D+01 -0.183621D+01 -0.276233D+01 -0.576636D+01
               156           157           158           159           160 
      1   0.755792D+00  0.490498D+01  0.541676D+01  0.138253D+01  0.619711D+00
      2   0.164700D+01 -0.621987D+01 -0.196946D+01  0.794894D+00 -0.171823D+01
      3  -0.177549D+01 -0.152257D+01 -0.500073D+01 -0.251831D+01  0.507179D-02
               161           162           163           164           165 
      1   0.223475D+01  0.852009D+00 -0.692842D+00  0.182247D+01 -0.851441D+00
      2  -0.404671D+00 -0.670726D+00  0.665631D+00 -0.220255D+00  0.238965D-01
      3  -0.111741D+01 -0.486315D+00  0.566551D+00 -0.185931D+01  0.993387D+00
               166           167           168           169           170 
      1   0.294466D+01 -0.107937D+02  0.506706D+01 -0.201303D+01  0.775479D+01
      2   0.134374D+01  0.361551D+01 -0.650933D+01 -0.259684D+01 -0.272319D+01
      3  -0.148925D+00  0.731982D+01 -0.585190D+01  0.503166D+00 -0.431014D+01
               171           172           173           174           175 
      1  -0.570283D+01 -0.168316D+01  0.810117D-01 -0.237969D+00 -0.237657D-01
      2   0.575977D+01 -0.322611D+01  0.881821D+00  0.698773D-01  0.461904D+00
      3   0.465301D+01 -0.139155D+00 -0.101082D+01  0.772651D+00 -0.772257D+00
               176           177           178           179           180 
      1   0.150866D+00 -0.308613D+01  0.169706D+00  0.512320D+00 -0.849870D+01
      2  -0.276053D+01 -0.584388D+01 -0.189793D+01 -0.599979D+01 -0.209598D+02
      3   0.346145D+01  0.286691D+01  0.145592D+01  0.418835D+01  0.594588D+01
               181           182           183           184           185 
      1   0.118828D+01 -0.891505D+00  0.894348D+00 -0.183949D+01  0.370214D+01
      2   0.247299D+01 -0.184947D+01  0.218131D+01 -0.249069D+01  0.779545D+01
      3   0.111115D+01 -0.352770D+01  0.664420D+00 -0.417695D+01  0.171433D+02
               186           187           188           189           190 
      1  -0.603602D+01  0.125792D+01 -0.199035D+01  0.382816D+01 -0.364975D+00
      2  -0.738154D+01  0.193060D+01 -0.636536D+01  0.537892D+01  0.294295D+01
      3  -0.586295D+01  0.102491D+01 -0.861353D+01  0.541080D+01 -0.161031D+02
               191           192           193           194           195 
      1  -0.373070D+00  0.228978D+00 -0.546289D+00 -0.130433D+00 -0.105565D+01
      2   0.107336D+01  0.574711D+01  0.100543D+01  0.172198D+01  0.285719D+01
      3  -0.103099D+02 -0.515396D+00 -0.983235D+01 -0.808518D+01 -0.109564D+01
               196           197           198           199           200 
      1   0.973700D+00  0.384390D+00 -0.263305D+00  0.361122D+01  0.361888D+00
      2   0.219658D+01 -0.991447D-01  0.141189D-01  0.506539D+01 -0.986211D+00
      3  -0.535821D+00 -0.188204D+01 -0.106999D+01 -0.453077D+01 -0.350473D+01
               201           202           203           204           205 
      1   0.307402D+01 -0.811853D-01  0.406136D+00 -0.161970D+01  0.296323D+01
      2   0.678342D+01 -0.131281D+00  0.118790D+01 -0.934193D+00  0.406135D+01
      3  -0.237343D+01  0.692441D+00 -0.167018D+01 -0.542521D+00 -0.498796D+01
               206           207           208           209           210 
      1  -0.696999D-01  0.468610D+01  0.113006D+01 -0.257297D+01  0.149666D+01
      2  -0.197600D+01  0.764028D+01 -0.814061D+00  0.297670D+00  0.118945D+01
      3  -0.382736D+01 -0.136611D+01 -0.346905D+01  0.940188D+00 -0.133559D+01
               211           212           213           214           215 
      1  -0.161858D+01  0.482605D+01 -0.733057D+01  0.233179D+00 -0.508659D+01
      2   0.103718D+01  0.190805D+00 -0.930503D+00 -0.199561D+01 -0.103788D+00
      3   0.463727D+01 -0.728475D+00  0.932767D+00 -0.432527D+01  0.144157D+01
               216           217           218           219           220 
      1   0.762332D+01 -0.365997D+01 -0.303458D+01 -0.473383D+01 -0.227879D+01
      2   0.704270D+00  0.664292D-01 -0.347432D+00  0.754175D+00 -0.836000D+00
      3   0.231000D-01  0.551807D+01  0.456587D+00  0.347453D+01  0.351575D+01
               221           222           223           224           225 
      1  -0.502860D+01 -0.649470D+01 -0.424004D+01 -0.558475D+01 -0.119239D+02
      2  -0.785502D+00  0.352364D+00 -0.229941D+01 -0.273157D+00 -0.100177D+01
      3   0.279443D+01  0.268756D+01  0.655426D+01  0.322537D+01  0.365278D+01
               226           227           228           229           230 
      1  -0.174395D+01  0.101841D+00 -0.212770D+01 -0.377381D+00 -0.890875D+00
      2   0.335330D+01  0.960564D+00  0.485688D+01  0.804780D+00  0.183769D+01
      3   0.226075D+01 -0.110454D+01  0.696151D+00 -0.468180D+00 -0.115202D+01
               231           232           233           234           235 
      1  -0.800048D+00 -0.272204D+01  0.207026D+01 -0.102484D+02  0.401013D+01
      2  -0.561455D+00  0.346214D+01  0.130766D+01  0.222934D+02 -0.517969D+01
      3  -0.140575D+01  0.115816D+01 -0.400131D+01  0.152173D+01  0.152798D+02
               236           237           238           239           240 
      1  -0.153911D+01 -0.237507D+01 -0.121834D+01  0.138602D+01  0.518466D+00
      2   0.990938D+00  0.803541D+01  0.126246D+01 -0.188170D+01 -0.301817D+01
      3  -0.719699D+01 -0.525681D+01 -0.620212D+01  0.299227D+01  0.333904D+01
               241           242           243           244           245 
      1  -0.298501D+01  0.208952D+01  0.155591D+01  0.489921D+00  0.142475D+00
      2   0.493185D+01 -0.846200D+00 -0.418806D+01 -0.144047D+01  0.224834D+00
      3  -0.617170D+01  0.478068D+01  0.409288D+01 -0.206466D+01  0.108528D+01
               246           247           248           249           250 
      1   0.194930D+00 -0.174951D+00 -0.344446D+00 -0.473049D+01 -0.743863D+00
      2   0.698248D+00  0.292469D+00 -0.429374D+01  0.410850D+01  0.419140D+00
      3  -0.866037D+00  0.980235D-01 -0.275048D+02  0.485121D+01 -0.805908D+00
               251           252 
      1  -0.469809D+00  0.627499D+00
      2   0.343014D+01 -0.826525D+00
      3   0.627286D+01 -0.291415D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.404773D+01  0.987483D+01 -0.111570D+02  0.720185D+01 -0.179949D+01
      2   0.292535D+01 -0.679221D+01  0.610512D+01 -0.490790D+01  0.426294D+01
      3   0.112238D+01 -0.308263D+01  0.505188D+01 -0.229395D+01 -0.246346D+01
      4   0.152686D+02 -0.420755D+01 -0.281470D+00 -0.897015D+01 -0.975167D+01
      5  -0.256003D+01 -0.529717D+01 -0.144797D+02 -0.700759D+01  0.540433D+01
      6  -0.200898D+00  0.722747D+01  0.831885D+01  0.750684D+01 -0.677471D+01
                 6             7             8             9            10 
      1   0.428419D-01 -0.145656D+02 -0.219015D+01 -0.132970D+02 -0.331394D+01
      2  -0.167217D+01  0.973655D+01  0.302615D+01  0.685067D+01 -0.100386D+01
      3   0.162932D+01  0.482904D+01 -0.835997D+00  0.644636D+01  0.431780D+01
      4   0.818662D+01 -0.154983D+01  0.117062D+02  0.197098D+02 -0.222295D+02
      5   0.782733D+01 -0.219836D+02  0.135470D+02  0.393925D+01 -0.499414D+01
      6  -0.655764D+01  0.143884D+02 -0.759410D+01 -0.715811D+01 -0.690509D+00
                11            12            13            14            15 
      1  -0.126860D+02 -0.385353D+01 -0.168070D+02 -0.858048D+01 -0.230595D+01
      2   0.215140D+01  0.140559D+01  0.630215D+01  0.941192D+01  0.744451D+00
      3   0.105346D+02  0.244794D+01  0.105048D+02 -0.831444D+00  0.156150D+01
      4  -0.128144D+02 -0.229794D+01 -0.116943D+02  0.122479D+02 -0.382994D+00
      5   0.224370D+01  0.436328D+01  0.144130D+01 -0.107060D+01 -0.312128D+01
      6  -0.258557D+01  0.396040D+00 -0.101434D+01 -0.818175D+00 -0.202794D+01
                16            17            18            19            20 
      1  -0.267297D+01 -0.412861D+01  0.202180D+02 -0.500368D+01 -0.530750D+01
      2   0.134125D+01 -0.288655D+01  0.215707D+01  0.431455D+01  0.502784D+00
      3   0.133173D+01  0.701516D+01 -0.223751D+02  0.689122D+00  0.480471D+01
      4  -0.470007D+01 -0.533695D+01 -0.164902D+01  0.263651D+00 -0.456584D+01
      5   0.130217D+02 -0.275755D+01  0.145986D+02 -0.322607D+01  0.109627D+01
      6   0.162444D+01  0.131466D+01  0.123786D+02 -0.272355D+01 -0.147289D+02
                21            22            23            24            25 
      1   0.109280D+02 -0.716694D+01  0.184022D+02 -0.552824D+01  0.162878D+02
      2  -0.162671D+02  0.419574D+01 -0.218569D+02  0.712847D+01 -0.187426D+02
      3   0.533902D+01  0.297120D+01  0.345469D+01 -0.160023D+01  0.245477D+01
      4  -0.179536D+01  0.224710D+01  0.453836D+01 -0.136232D+02 -0.419460D+01
      5  -0.197852D+01  0.125112D+01 -0.706890D+01  0.273178D+00  0.899470D+00
      6   0.120152D+01 -0.144675D+02  0.125629D+02 -0.163600D+02 -0.304029D+01
                26            27            28            29            30 
      1  -0.893820D+01  0.163636D+02 -0.448559D+01 -0.248331D+01 -0.164344D+01
      2   0.103848D+02 -0.222901D+02  0.390621D+01  0.117061D+02  0.918416D+01
      3  -0.144661D+01  0.592654D+01  0.579371D+00 -0.922281D+01 -0.754072D+01
      4  -0.139217D+02 -0.342950D+01 -0.142063D+02 -0.135104D+02  0.137148D+02
      5  -0.750476D+00 -0.381482D+01  0.109610D+02  0.120186D+02 -0.111699D+02
      6  -0.264776D+02  0.144568D+01  0.884248D+01  0.121243D+02 -0.128037D+02
                31            32            33            34            35 
      1   0.163106D+01 -0.621239D+01  0.717880D+01 -0.334367D+01  0.136683D+02
      2   0.451593D+01  0.118779D+02 -0.477331D+01  0.767007D+01 -0.610203D+01
      3  -0.614699D+01 -0.566550D+01 -0.240549D+01 -0.432641D+01 -0.756630D+01
      4  -0.138725D+02 -0.647873D+01  0.599770D+01  0.195865D+02  0.571723D+01
      5   0.821411D+01  0.233385D+01 -0.268246D+01 -0.964303D+01 -0.314519D+01
      6   0.805594D+01  0.252273D+01 -0.697783D+01 -0.935192D+01  0.110196D+00
                36            37            38            39            40 
      1  -0.606547D+01  0.443782D+01  0.169658D+02  0.143670D+02  0.183808D+02
      2   0.871603D+01 -0.107108D+02 -0.116106D+02 -0.645148D+01 -0.942476D+01
      3  -0.265056D+01  0.627301D+01 -0.535522D+01 -0.791550D+01 -0.895599D+01
      4  -0.898171D-01  0.161328D+02 -0.567487D+00 -0.104150D+02  0.151383D+01
      5  -0.881305D+00  0.158558D+02 -0.466915D+01  0.735638D+01 -0.220942D+01
      6   0.189139D+00 -0.206134D+01  0.575909D+00  0.368100D+01  0.419070D+01
                41            42            43            44            45 
      1  -0.310643D+01 -0.112834D+01  0.157682D+02 -0.478808D+01  0.617151D+01
      2   0.697624D+00  0.611160D+01 -0.787088D+01  0.337734D+01 -0.255950D+00
      3   0.240881D+01 -0.498325D+01 -0.789737D+01  0.141074D+01 -0.591556D+01
      4  -0.463612D+01  0.105665D+02 -0.134092D+02  0.906109D+01 -0.117003D+02
      5   0.125339D+02 -0.740095D+01  0.393214D+01 -0.100412D+02 -0.633270D+01
      6  -0.915371D+00  0.769522D+01 -0.254944D+01 -0.412503D+00 -0.278720D+01
                46            47            48            49            50 
      1  -0.874426D+01 -0.611812D-01 -0.365962D+01  0.333214D+00  0.248520D+02
      2   0.557228D+01  0.503405D+01  0.471590D+01  0.103813D+01 -0.388729D+02
      3   0.317198D+01 -0.497287D+01 -0.105628D+01 -0.137135D+01  0.140209D+02
      4   0.391451D+01  0.239866D+01  0.255405D+01  0.401136D+01  0.156236D+01
      5  -0.675779D+01 -0.425603D+01 -0.410792D+01 -0.536912D+01 -0.766954D+01
      6  -0.159362D+00  0.101406D+01 -0.508794D+01 -0.350734D+01 -0.347528D+01
                51            52            53            54            55 
      1  -0.774738D+01 -0.142117D+01 -0.190303D+01  0.766566D+00  0.599002D+01
      2  -0.792549D+00  0.439593D+01 -0.102725D+01  0.876951D+01  0.863544D+01
      3   0.853992D+01 -0.297477D+01  0.293029D+01 -0.953607D+01 -0.146255D+02
      4  -0.448113D+01  0.608044D+01  0.190084D+01  0.161425D+01  0.173477D+01
      5   0.947087D+00 -0.207521D+01  0.175403D+01 -0.176268D+01 -0.596557D+01
      6  -0.622247D-01  0.203833D+00  0.398467D+01 -0.222175D+01  0.824549D+00
                56            57            58            59            60 
      1  -0.725652D+01 -0.396066D-01 -0.728455D+01 -0.520175D+01  0.710566D+01
      2  -0.937767D+01 -0.360484D+00 -0.780397D+01 -0.124717D+01  0.550658D+01
      3   0.166342D+02  0.400091D+00  0.150885D+02  0.644892D+01 -0.126122D+02
      4  -0.152133D+01 -0.209384D+01 -0.126429D+01  0.156902D+01  0.371578D+01
      5   0.144417D+01 -0.143336D+02  0.319686D+01  0.745771D+01  0.102328D+02
      6   0.420866D+01  0.162369D+02  0.797201D+01  0.128663D+01  0.200038D+01
                61            62            63            64            65 
      1  -0.264448D+01  0.901693D+00 -0.204181D+01  0.106459D+02 -0.478865D+01
      2  -0.175626D+01  0.868732D+01 -0.126800D+01 -0.553302D+01  0.835000D+00
      3   0.440075D+01 -0.958901D+01  0.330982D+01 -0.511290D+01  0.395365D+01
      4  -0.689605D+01 -0.371395D+00  0.447646D+01 -0.151884D+02  0.120941D+02
      5  -0.933801D+01  0.819212D+01  0.182063D+01 -0.123981D+02  0.683508D+01
      6   0.116171D+02 -0.120818D+01 -0.701599D+01  0.770776D+01 -0.642402D+01
                66            67            68            69            70 
      1  -0.410703D+01 -0.251197D+01 -0.338765D+01 -0.197288D+01 -0.598617D+01
      2   0.278146D+01 -0.130973D+01  0.810989D+01  0.305561D+01  0.517942D+01
      3   0.132557D+01  0.382170D+01 -0.472225D+01 -0.108273D+01  0.806745D+00
      4   0.869848D+01  0.141401D+02 -0.132808D+02 -0.110958D+02  0.140824D+02
      5   0.128774D+02  0.661525D+01 -0.923364D+01 -0.805256D+01  0.183137D+02
      6  -0.710180D+01 -0.768260D+01  0.110040D+02  0.106593D+02 -0.123807D+02
                71            72            73            74            75 
      1  -0.179073D+01  0.119546D+00 -0.218947D+02  0.194196D+02  0.202546D+02
      2   0.205419D+01 -0.625383D+01  0.231601D+02 -0.621401D+01 -0.124355D+02
      3  -0.263458D+00  0.613429D+01 -0.126548D+01 -0.132056D+02 -0.781907D+01
      4  -0.152745D+02 -0.160457D+02  0.243601D+02  0.162256D+02  0.173608D+00
      5  -0.118964D+02 -0.206584D+02  0.244034D+02 -0.464019D+01 -0.164345D+02
      6   0.137862D+02  0.180568D+02  0.462672D+01 -0.338520D+00 -0.409549D+01
                76            77            78            79            80 
      1   0.326828D+02  0.227413D+02 -0.944792D+01  0.237055D+02 -0.590431D+01
      2  -0.186566D+02 -0.319349D+02  0.115629D+02 -0.117270D+02  0.103163D+02
      3  -0.140261D+02  0.919360D+01 -0.211499D+01 -0.119785D+02 -0.441195D+01
      4   0.111214D+02 -0.276383D+02  0.957505D+01  0.380317D+01  0.107477D+02
      5  -0.626614D+01  0.110399D+02  0.392223D+01 -0.236053D+02 -0.175755D+00
      6   0.540755D+00  0.131339D+02 -0.108940D+01 -0.690737D+01 -0.213033D+01
                81            82            83            84            85 
      1  -0.178349D+02 -0.650952D+00  0.226401D+01 -0.192752D+01  0.220498D+01
      2   0.122727D+02 -0.316563D+01 -0.575525D+00  0.406284D+00 -0.712077D+00
      3   0.556224D+01  0.381659D+01 -0.168848D+01  0.152124D+01 -0.149290D+01
      4  -0.382694D+01  0.198832D+01  0.311324D+01 -0.793930D+00  0.432733D+01
      5  -0.269875D+02  0.411029D+00 -0.513106D+00  0.579241D+01 -0.327796D+00
      6  -0.133327D+02 -0.105584D+01  0.650858D+00 -0.561826D+00  0.494725D+00
                86            87            88            89            90 
      1  -0.359912D+01  0.320833D+01 -0.503920D+01  0.312408D+01 -0.206461D+02
      2   0.960946D+00 -0.865285D+00  0.113602D+01  0.161274D+01 -0.131599D+02
      3   0.263817D+01 -0.234304D+01  0.390318D+01 -0.473682D+01  0.338059D+02
      4   0.750894D+00 -0.240788D+01 -0.288840D+01 -0.427210D+01  0.209235D+01
      5  -0.202517D+01  0.260821D+01  0.417365D+01  0.355212D+01 -0.182016D+02
      6  -0.358161D+01  0.804649D+01  0.282356D+00  0.619664D+01 -0.122062D+02
                91            92            93            94            95 
      1   0.152901D+02  0.399932D+01 -0.245994D+01  0.573641D+00 -0.374676D+01
      2  -0.823397D+01  0.376043D+00  0.264768D+01  0.284051D+01  0.963597D+01
      3  -0.705611D+01 -0.437536D+01 -0.187738D+00 -0.341415D+01 -0.588920D+01
      4   0.237917D+02  0.187533D+02 -0.121315D+02  0.161877D+02  0.167691D+02
      5  -0.201142D+02 -0.123680D+02  0.158053D+02 -0.915720D+01 -0.990299D+01
      6  -0.128176D+02 -0.115017D+02  0.102669D+02 -0.101224D+02 -0.136964D+02
                96            97            98            99           100 
      1   0.194466D+01 -0.966611D+00  0.173232D+01 -0.251945D+01 -0.299008D+01
      2  -0.167931D+01  0.243943D+01  0.242239D+00 -0.528404D+01  0.512332D+01
      3  -0.265351D+00 -0.147282D+01 -0.197456D+01  0.780349D+01 -0.213324D+01
      4  -0.923615D+01 -0.100918D+02 -0.843110D+01  0.965144D+01 -0.201714D+02
      5   0.677078D+01  0.140155D+02  0.904661D+01 -0.120319D+02 -0.172709D+02
      6   0.102987D+02  0.980933D+01  0.104317D+02 -0.120066D+02 -0.170677D+02
               101           102           103           104           105 
      1  -0.204468D+02 -0.150072D+02 -0.239043D+02  0.293082D+01 -0.854902D+01
      2   0.495478D+01  0.325410D+01  0.565135D+01  0.904100D+01 -0.704633D+01
      3   0.154920D+02  0.117531D+02  0.182530D+02 -0.119718D+02  0.155953D+02
      4  -0.830957D+01 -0.168874D+01 -0.114028D+02  0.232076D+01 -0.155022D+02
      5  -0.116276D+02 -0.785349D+01 -0.120331D+02 -0.168171D+02  0.105683D+02
      6  -0.679856D+01  0.253595D+01 -0.102316D+02  0.694255D+01 -0.204451D+02
               106           107           108           109           110 
      1  -0.116131D+02 -0.387337D+01 -0.265973D+01 -0.236323D+02 -0.310469D+02
      2   0.257989D+01 -0.722209D+01 -0.599471D+01  0.174522D+02  0.185590D+02
      3   0.903320D+01  0.110955D+02  0.865444D+01  0.618016D+01  0.124879D+02
      4   0.259831D+01 -0.100211D+02  0.112449D+02 -0.293294D+02 -0.204446D+01
      5  -0.741266D+01  0.118576D+02  0.716364D+01 -0.114365D+02  0.818084D+01
      6   0.756643D+01 -0.143038D+02  0.144982D+02  0.647487D+01 -0.315525D+01
               111           112           113           114           115 
      1  -0.108807D+02 -0.399687D+02 -0.300378D+01  0.252284D+01 -0.118160D+02
      2   0.219103D+01  0.255583D+02 -0.792906D+01  0.619594D+01  0.134506D+01
      3   0.868970D+01  0.144105D+02  0.109328D+02 -0.871878D+01  0.104709D+02
      4   0.893028D+01 -0.101144D+02  0.176479D+02 -0.155422D+02  0.111780D+02
      5   0.894586D+00  0.966795D+01 -0.140862D+02  0.152184D+02 -0.288002D+01
      6   0.426538D+00 -0.476477D+01  0.907360D+01 -0.905871D+01  0.354952D+01
               116           117           118           119           120 
      1   0.246596D+01  0.600370D+01 -0.537205D-01  0.184623D+01 -0.412054D+00
      2   0.803551D+01 -0.664175D+01  0.397955D+01 -0.269517D+01 -0.575474D+00
      3  -0.105015D+02  0.638050D+00 -0.392583D+01  0.848937D+00  0.987528D+00
      4  -0.166815D+02  0.167611D+02 -0.626511D-01  0.104801D+02 -0.104741D+01
      5   0.176339D+02  0.219415D+02  0.542810D+00  0.363773D+00  0.303454D+01
      6  -0.813697D+01 -0.880969D+01  0.151960D+00 -0.380307D+00  0.179435D-01
               121           122           123           124           125 
      1   0.522696D+00 -0.303273D+02 -0.448535D+00 -0.613226D+00  0.377129D+00
      2   0.129054D+01  0.554164D+02 -0.529351D+00 -0.895799D+00 -0.193831D+01
      3  -0.181323D+01 -0.250891D+02  0.977886D+00  0.150903D+01  0.156118D+01
      4   0.828765D+01  0.138395D+01  0.299230D+00 -0.186066D+01 -0.643265D+00
      5   0.194063D+00  0.132302D+01  0.343817D+00  0.224613D+01  0.118811D+00
      6   0.459572D+00  0.533089D+01  0.678504D+01  0.787392D+00  0.864281D+01
               126           127           128           129           130 
      1  -0.431196D+01 -0.185929D+00  0.185873D+01  0.700861D+01  0.239970D+01
      2   0.391682D+01 -0.730507D+01  0.339800D+01  0.807537D+01  0.166918D+01
      3   0.395133D+00  0.749100D+01 -0.525673D+01 -0.150840D+02 -0.406889D+01
      4   0.300294D+00 -0.484801D+01  0.371200D+01  0.358074D+01  0.416065D+01
      5   0.120063D+01 -0.882823D+01  0.434862D+01  0.125670D+02  0.412746D+01
      6   0.569918D+00  0.531863D+01 -0.602616D+01 -0.789791D+01 -0.592360D+01
               131           132           133           134           135 
      1  -0.622684D+01 -0.953549D+01  0.435305D+01 -0.674478D+01 -0.176264D+02
      2  -0.456022D-01 -0.366450D+01  0.547331D+01 -0.449882D+01 -0.159982D+02
      3   0.627245D+01  0.132000D+02 -0.982636D+01  0.112436D+02  0.336246D+02
      4  -0.367514D+01 -0.349139D+01  0.312160D+01 -0.280606D+01 -0.461109D+01
      5  -0.507665D+01 -0.534304D+01  0.105808D+02 -0.529357D+01 -0.126773D+02
      6   0.112112D+02  0.133052D+02 -0.628387D+01  0.101605D+02  0.155715D+02
               136           137           138           139           140 
      1   0.154576D+01  0.171132D+01 -0.632228D+01  0.187979D+01 -0.166110D+01
      2  -0.109656D+02  0.148818D+01 -0.114588D+02  0.237111D+01  0.539493D+00
      3   0.941985D+01 -0.319950D+01  0.177811D+02 -0.425091D+01  0.112160D+01
      4   0.819393D+00  0.385450D+01 -0.236103D+00  0.367431D+01 -0.694882D+00
      5   0.192207D+02 -0.212075D+01  0.176095D+02 -0.388127D+01  0.250851D+01
      6  -0.257390D+01  0.409296D+01 -0.357337D+01  0.308278D+01 -0.395998D+01
               141           142           143           144           145 
      1   0.224589D+01 -0.249073D+01  0.808873D+00 -0.898460D+01 -0.791472D+01
      2   0.159185D+01 -0.809206D+01 -0.255991D+00 -0.123682D+02  0.162413D+01
      3  -0.383773D+01  0.105828D+02 -0.552882D+00  0.213528D+02  0.629059D+01
      4   0.124450D+01  0.360215D+00  0.151740D+01 -0.632652D+00  0.209098D+01
      5  -0.430336D+01  0.140077D+02 -0.219339D+01  0.145216D+02 -0.869164D+01
      6   0.587026D+01 -0.263261D+01  0.464330D+01 -0.180739D+01  0.664744D+01
               146           147           148           149           150 
      1   0.840611D+01  0.109136D+02  0.869844D+01 -0.864309D+01 -0.657955D+01
      2  -0.242593D+01  0.328233D+01 -0.341160D+01  0.335832D+01 -0.768106D+00
      3  -0.598019D+01 -0.141959D+02 -0.528684D+01  0.528477D+01  0.734765D+01
      4   0.461128D+00 -0.896459D+00  0.237359D+01  0.103084D+01  0.300204D+01
      5   0.401018D+01  0.188778D+01  0.568725D+01 -0.584877D+00 -0.749625D+00
      6  -0.581537D+01 -0.596772D+01 -0.380285D+01  0.713965D+01  0.933274D+01
               151           152           153           154           155 
      1   0.722967D+01 -0.587423D+01 -0.112585D+02  0.285841D+02  0.103328D+02
      2   0.131340D+01  0.478627D+00 -0.291625D+01 -0.166756D+02 -0.363533D+01
      3  -0.854308D+01  0.539560D+01  0.141747D+02 -0.119085D+02 -0.669747D+01
      4  -0.329118D+00  0.143111D+01  0.834770D-01  0.196328D+02  0.148376D+02
      5   0.566453D+01 -0.237997D+01 -0.279036D+01  0.287097D+02  0.129297D+02
      6  -0.530619D+01  0.815598D+01  0.599630D+01  0.125275D+02  0.101456D+02
               156           157           158           159           160 
      1   0.648338D+01  0.122423D+02  0.420338D+01  0.169964D+01  0.333931D+00
      2  -0.910815D+01 -0.444626D+01  0.339039D+00 -0.281425D+01 -0.398931D+01
      3   0.262477D+01 -0.779602D+01 -0.454241D+01  0.111461D+01  0.365538D+01
      4   0.740711D+01  0.167588D+02  0.147828D+02  0.830884D+01  0.213709D+01
      5   0.184617D+02  0.153109D+02  0.118294D+02  0.907591D+01  0.104402D+02
      6   0.618727D+01  0.106718D+02  0.100310D+02  0.932201D+01  0.373111D+01
               161           162           163           164           165 
      1  -0.915338D-01  0.137791D+01  0.173555D+01 -0.422827D+00  0.330873D+01
      2  -0.114563D+01 -0.420409D+01 -0.350788D+01  0.193073D+01 -0.436728D+01
      3   0.123716D+01  0.282618D+01  0.177233D+01 -0.150790D+01  0.105856D+01
      4   0.291403D+01  0.336230D+01 -0.185242D+01  0.556573D+01 -0.308861D+01
      5   0.425412D+01  0.760836D+01  0.768431D+01 -0.368185D+01  0.934343D+01
      6   0.569349D+01  0.288134D+01 -0.251870D+01  0.304599D+01 -0.245254D+01
               166           167           168           169           170 
      1  -0.103352D+00 -0.821238D+01  0.109312D+02  0.102707D+01  0.660046D+01
      2   0.330339D+01 -0.446684D+00  0.809432D+01 -0.484430D+01  0.548683D+01
      3  -0.320004D+01  0.865907D+01 -0.190255D+02  0.381724D+01 -0.120873D+02
      4   0.795301D+01 -0.135078D+02  0.109726D+02 -0.319977D+01  0.698746D+01
      5  -0.883396D+01  0.114721D+02 -0.161662D+02  0.952926D+01 -0.855447D+01
      6   0.681023D+01 -0.217813D+02  0.205777D+02 -0.398525D+01  0.144542D+02
               171           172           173           174           175 
      1  -0.121685D+02  0.237068D+01  0.113810D+01 -0.356633D+01  0.168654D+01
      2  -0.120119D+02 -0.321080D+01  0.569387D-01  0.304236D+01 -0.191835D+01
      3   0.241804D+02  0.840123D+00 -0.119504D+01  0.523975D+00  0.231806D+00
      4  -0.811386D+01  0.815964D+00  0.175826D+01  0.279270D+01  0.560519D+01
      5   0.156530D+02 -0.360430D+01  0.146169D+01  0.588392D+01  0.228531D+01
      6  -0.162810D+02  0.196173D+01 -0.341574D+00 -0.155216D+01 -0.165996D+01
               176           177           178           179           180 
      1  -0.201382D+01 -0.305295D+01 -0.945852D+01 -0.182370D+01 -0.669069D+01
      2   0.367680D+01  0.172791D+01  0.563772D+01  0.157698D+01 -0.495701D+01
      3  -0.166298D+01  0.132504D+01  0.382081D+01  0.246719D+00  0.116477D+02
      4  -0.843518D+01 -0.570512D+01  0.752365D+01 -0.906895D+01 -0.117604D+02
      5  -0.559807D+01 -0.101909D+02  0.123477D+02 -0.125261D+02 -0.345514D+02
      6   0.536769D+01  0.981044D+01 -0.437278D+01  0.100357D+02  0.175090D+02
               181           182           183           184           185 
      1   0.975806D+01 -0.436329D+01  0.394002D+01 -0.555061D+01 -0.297317D+01
      2  -0.215452D+01 -0.524308D+00 -0.704326D+00 -0.570111D+01  0.238028D+02
      3  -0.760354D+01  0.488760D+01 -0.323569D+01  0.112517D+02 -0.208297D+02
      4  -0.787769D+01  0.119316D+02 -0.529267D+01  0.224611D+02 -0.385193D+02
      5   0.437786D+01 -0.414632D+01  0.389942D+01 -0.624737D+01  0.122697D+02
      6  -0.307249D+01  0.139416D+01 -0.900546D+00  0.405676D+01 -0.997767D+01
               186           187           188           189           190 
      1   0.150834D+01  0.856717D+01  0.695748D+00 -0.178429D+01  0.706575D+02
      2  -0.717959D+01 -0.113639D+01 -0.861026D+01  0.329320D+01 -0.385432D+02
      3   0.567124D+01 -0.743078D+01  0.791451D+01 -0.150890D+01 -0.321143D+02
      4   0.131382D+02 -0.126928D+02  0.186755D+02 -0.120740D+02  0.807200D+01
      5  -0.119994D+02  0.800955D+01 -0.122132D+02  0.988898D+01 -0.901353D+00
      6   0.919164D+01 -0.490040D+01  0.998384D+01 -0.806521D+01 -0.153560D+01
               191           192           193           194           195 
      1   0.170490D+02  0.199461D+01  0.360615D+02  0.124730D+02  0.513678D+00
      2  -0.110310D+02 -0.892745D+00 -0.199696D+02 -0.522744D+01 -0.852669D+00
      3  -0.601796D+01 -0.110187D+01 -0.160919D+02 -0.724552D+01  0.338991D+00
      4   0.116265D+02  0.724662D-01  0.140287D+02  0.104139D+02  0.207637D+01
      5  -0.583427D+00  0.864890D+01 -0.183002D+01  0.127308D+01  0.472805D+01
      6  -0.752170D+00 -0.105118D+01 -0.799742D+00 -0.165047D+01  0.161482D+01
               196           197           198           199           200 
      1   0.649768D+01  0.433977D+00  0.596109D+01  0.248441D+02 -0.402516D+01
      2  -0.291000D+01 -0.147125D+01 -0.388250D+01 -0.128105D+02  0.267533D+00
      3  -0.358767D+01  0.103728D+01 -0.207860D+01 -0.120336D+02  0.375763D+01
      4  -0.824502D+00  0.299764D+01  0.406670D+00 -0.151821D+02  0.100122D+02
      5   0.105035D+02  0.126546D+01 -0.752922D-01  0.134246D+02 -0.249219D+01
      6  -0.238733D+00  0.198688D+01  0.832898D+00 -0.506424D+01  0.777958D+00
               201           202           203           204           205 
      1   0.106190D+02 -0.697722D+00  0.249966D+01  0.508942D+00  0.166496D+02
      2  -0.581681D+01 -0.121017D+01 -0.673971D+00 -0.883324D+00 -0.100437D+02
      3  -0.480218D+01  0.190789D+01 -0.182569D+01  0.374382D+00 -0.660585D+01
      4  -0.643923D+01  0.797315D+01 -0.328406D+01  0.332962D+01 -0.998109D+01
      5   0.114707D+02 -0.590315D+00  0.328800D+01 -0.213830D+01  0.140846D+02
      6  -0.454342D+01  0.187434D+01 -0.148438D+01  0.378505D+01 -0.661143D+01
               206           207           208           209           210 
      1   0.216393D-02  0.773871D+01 -0.147609D+01  0.498037D+01 -0.302256D+01
      2  -0.213413D+01 -0.679078D+01  0.514933D+01 -0.910727D+01  0.419017D+01
      3   0.213196D+01 -0.947930D+00 -0.367324D+01  0.412690D+01 -0.116761D+01
      4   0.715207D+01 -0.975378D+01 -0.697194D+01  0.127780D+02 -0.505204D+01
      5  -0.544338D+01  0.133254D+02  0.232060D+01 -0.404870D+01  0.439267D+01
      6   0.377770D+01 -0.612825D+01 -0.533024D+01  0.732773D+01 -0.383508D+01
               211           212           213           214           215 
      1   0.368720D+01 -0.312190D+02  0.130110D+02 -0.400840D+01  0.207465D+02
      2  -0.716540D+01  0.475797D+02 -0.169226D+02  0.577908D+01 -0.252634D+02
      3   0.347820D+01 -0.163607D+02  0.391156D+01 -0.177069D+01  0.451686D+01
      4   0.830825D+01 -0.122688D+02  0.608880D+01 -0.493000D+01  0.883161D+01
      5  -0.228097D+01  0.494418D+01 -0.267548D+01  0.375441D+01 -0.494617D+01
      6   0.566026D+01 -0.261105D+02  0.178579D+02 -0.432503D+01  0.263243D+02
               216           217           218           219           220 
      1  -0.160685D+02 -0.115456D+01 -0.504157D+01 -0.324386D+01 -0.323296D+01
      2   0.138245D+02  0.338394D+01  0.109165D+02  0.535594D+01  0.656222D+01
      3   0.224404D+01 -0.222938D+01 -0.587493D+01 -0.211208D+01 -0.332926D+01
      4  -0.491737D+01  0.795424D+01  0.862835D+01  0.535733D+01  0.597288D+01
      5   0.447396D+01  0.303070D+01  0.208736D+01  0.387060D+01  0.134819D+01
      6  -0.206484D+02  0.590032D+01  0.594802D+01  0.479924D+01  0.535058D+01
               221           222           223           224           225 
      1  -0.165956D+02 -0.690078D+01 -0.614251D+01 -0.126033D+02 -0.118943D+02
      2   0.257753D+02  0.101402D+02  0.580779D+01  0.175794D+02  0.116252D+02
      3  -0.917972D+01 -0.323947D+01  0.334724D+00 -0.497613D+01  0.269165D+00
      4   0.689721D+01  0.441854D+01  0.649941D+01  0.549501D+01  0.498157D+01
      5   0.233812D+01  0.110260D+01  0.364927D+01  0.173415D+01  0.295892D+01
      6   0.117001D+02  0.129877D+02  0.633968D+01  0.180726D+02  0.173237D+02
               226           227           228           229           230 
      1   0.104911D+02 -0.706821D+00  0.538278D+01 -0.531784D+01 -0.213411D+01
      2  -0.813106D+01  0.451902D+00 -0.387263D+01  0.368745D+01  0.309549D+01
      3  -0.236001D+01  0.254919D+00 -0.151015D+01  0.163039D+01 -0.961385D+00
      4   0.171499D+01  0.130108D+01  0.293707D+01  0.215597D+01  0.357421D+01
      5   0.637629D+01  0.157527D+01  0.126969D+02  0.558108D+00  0.337783D+01
      6   0.249112D+01  0.596741D+00  0.377723D+01  0.128628D+01  0.706121D+00
               231           232           233           234           235 
      1  -0.265609D+00  0.136724D+02  0.146080D+01  0.579120D+01  0.703245D+02
      2   0.110342D+01 -0.831597D+01  0.128368D+01 -0.117398D+02 -0.408354D+02
      3  -0.837815D+00 -0.535646D+01 -0.274448D+01  0.594859D+01 -0.294891D+02
      4   0.392420D+01  0.913262D+01  0.934120D+01  0.592905D+01  0.704060D+01
      5  -0.589595D-01  0.183301D+02  0.414585D+01  0.387574D+02 -0.272736D+02
      6   0.398877D+01  0.624829D+01  0.510655D+01  0.173176D+02 -0.449025D+01
               236           237           238           239           240 
      1  -0.693529D+01 -0.198000D+02 -0.229239D+02  0.534158D+01  0.616433D+01
      2   0.598474D+01  0.134038D+02  0.141900D+02 -0.179309D+01 -0.548722D+01
      3   0.950551D+00  0.639613D+01  0.873391D+01 -0.354849D+01 -0.677108D+00
      4   0.895159D+01 -0.155139D+01  0.647753D+01 -0.285999D+01 -0.411055D+01
      5   0.235725D+01  0.183777D+02  0.842961D+01 -0.517198D+01 -0.650180D+01
      6  -0.807412D+00  0.406038D+01 -0.611478D+00 -0.317635D+00  0.720056D+00
               241           242           243           244           245 
      1  -0.268282D+02  0.240870D+01  0.137439D+02  0.166886D+01  0.578165D+01
      2   0.182848D+02 -0.379181D+01 -0.126949D+02  0.116277D+01 -0.465269D+01
      3   0.854345D+01  0.138311D+01 -0.104904D+01 -0.283162D+01 -0.112896D+01
      4  -0.399460D+01 -0.692066D+01  0.110930D+01  0.236645D+01  0.448961D+01
      5   0.235042D+02 -0.176995D+01 -0.140658D+02 -0.266411D+01 -0.595000D+00
      6   0.418818D+01  0.227318D+01 -0.153761D+01 -0.211287D+01  0.525136D+00
               246           247           248           249           250 
      1  -0.325494D+01  0.525543D+01 -0.217543D+02  0.493445D+01 -0.490292D+01
      2   0.184810D+01  0.351764D+01  0.463555D+02 -0.714873D+01  0.178320D+01
      3   0.140685D+01 -0.877307D+01 -0.246012D+02  0.221428D+01  0.311972D+01
      4  -0.120392D+01  0.171757D+02  0.495835D+02 -0.863397D+01 -0.456077D+01
      5   0.205782D+01 -0.229326D+01 -0.908773D+01  0.776571D+01  0.552648D+01
      6  -0.481128D+00 -0.279342D+01 -0.135566D+02  0.966378D+01  0.259188D+01
               251           252 
      1   0.528518D+01 -0.235980D+01
      2  -0.773657D+01  0.333005D+01
      3   0.245139D+01 -0.970251D+00
      4  -0.107269D+02  0.688144D+01
      5   0.702687D+01 -0.238873D+01
      6   0.105604D+02 -0.465156D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118654D+03      0.175828D+02      0.195635D+02
   aniso      0.169058D+02      0.250518D+01      0.278739D+01
   xx         0.129597D+03      0.192043D+02      0.213676D+02
   yx         0.420027D-01      0.622416D-02      0.692531D-02
   yy         0.115432D+03      0.171053D+02      0.190322D+02
   zx         0.632008D+00      0.936539D-01      0.104204D+00
   zy        -0.869546D-01     -0.128853D-01     -0.143369D-01
   zz         0.110934D+03      0.164388D+02      0.182906D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118654D+03      0.175828D+02      0.195635D+02
   aniso      0.169058D+02      0.250518D+01      0.278739D+01
   xx         0.129585D+03      0.192025D+02      0.213656D+02
   yx        -0.453718D+00     -0.672341D-01     -0.748081D-01
   yy         0.113565D+03      0.168286D+02      0.187243D+02
   zx         0.649141D+00      0.961928D-01      0.107029D+00
   zy         0.221304D+01      0.327938D+00      0.364880D+00
   zz         0.112814D+03      0.167173D+02      0.186005D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-25\Freq\RB3LYP\Gen\C10H18\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
 axCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculatio
 ns.\\0,1\C,-1.52888,1.093729,0.246966\C,-1.321456,-0.416759,0.534617\C
 ,-0.251555,1.852797,-0.188359\C,0.77071,0.903021,-0.813047\C,1.207111,
 -0.195282,0.209826\C,-0.097064,-0.937248,-0.228322\C,0.020234,-0.20802
 2,-1.592788\H,-1.986528,1.578225,1.111675\C,-2.579256,-1.209394,0.1858
 67\H,-1.133681,-0.556858,1.602321\H,1.569849,1.44626,-1.321922\C,1.387
 674,0.189094,1.672498\C,2.463556,-0.935948,-0.24905\H,-0.064495,-2.029
 648,-0.222695\H,0.653697,-0.734184,-2.30161\H,-0.904266,0.071251,-2.09
 8034\H,0.543396,0.73385,2.089372\H,2.274733,0.817174,1.790633\H,1.5366
 66,-0.70458,2.284391\H,2.414606,-1.247642,-1.291582\H,2.620603,-1.8316
 37,0.357494\H,3.34463,-0.299271,-0.134439\H,-2.262427,1.175948,-0.5576
 56\H,-0.525798,2.622427,-0.914283\H,0.202587,2.37796,0.654229\H,-2.781
 972,-1.16707,-0.887575\H,-3.453499,-0.808443,0.704109\H,-2.474549,-2.2
 59702,0.466325\\Version=ES64L-G16RevA.03\State=1-A\HF=-392.0750896\RMS
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 LIVE PURE, SPEAK TRUE, RIGHT WRONG, FOLLOW THE KING...
 ELSE, WHEREFORE BORN......
           IDYLLS OF THE KING, TENNYSON
 Job cpu time:       0 days 13 hours 41 minutes 55.0 seconds.
 Elapsed time:       0 days  1 hours 43 minutes  0.1 seconds.
 File lengths (MBytes):  RWF=    753 Int=      0 D2E=      0 Chk=     23 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:50:58 2021.
